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490 hits found in 0.53 seconds.
Search terms: C21H31N3O5

Found by empirical formula

GridTileTableRecordChemReferEntrezPubChem

1

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	1.19
XLogP:	-0.90
ALOGPS:	-1.23

-1.33

-1.8

InChI=1/C21H31N3O5/c1-28-17-13-16(14-18(29-2)21(17)27)5-6-19(25)24-11-9-22(10-12-24)15-20(26)23-7-3-4-8-23/h13-14,27H,3-12,15H2,1-2H3

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	0.82
XLogP:	0.40
ALOGPS:	1.29

0.81

0.82

InChI=1/C19H29N3O.C2H2O4/c1-4-10-20-11-6-5-8-15(2)22-18-14-17(23-3)13-16-9-7-12-21-19(16)18;3-1(4)2(5)6/h7,9,12-15,20,22H,4-6,8,10-11H2,1-3H3;(H,3,4)(H,5,6)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:

3.17

InChI=1/C19H29N3O.C2H2O4/c1-3-4-10-20-11-6-5-7-12-21-18-15-17(23-2)14-16-9-8-13-22-19(16)18;3-1(4)2(5)6/h8-9,13-15,20-21H,3-7,10-12H2,1-2H3;(H,3,4)(H,5,6)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:

3.35

InChI=1/C19H29N3O.C2H2O4/c1-4-22(5-2)13-8-6-7-11-20-18-15-17(23-3)14-16-10-9-12-21-19(16)18;3-1(4)2(5)6/h9-10,12,14-15,20H,4-8,11,13H2,1-3H3;(H,3,4)(H,5,6)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:

3.31

InChI=1/C21H31N3O5/c1-14(25)28-17-11-10-16(22-13-17)12-18(24-20(27)29-21(2,3)4)19(26)23-15-8-6-5-7-9-15/h10-11,13,15,18H,5-9,12H2,1-4H3,(H,23,26)(H,24,27)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	2.10
XLogP:	2.80

InChI=1/C21H31N3O5/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)25)28-13-16-12-24(20(27)29-16)21(4,5)6/h9-11,16H,7-8,12-13H2,1-6H3,(H,22,26)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	2.69
XLogP:	2.60

2.69

2.69

InChI=1/C21H31N3O5/c1-3-29-21(27)24-13-11-23(12-14-24)20(26)16-7-9-22(10-8-16)15-17-5-4-6-18(28-2)19(17)25/h4-6,16,25H,3,7-15H2,1-2H3

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	1.70
XLogP:	1.20

InChI=1/C21H30N2O2.HNO3/c1-3-4-16-14-22-11-9-15(16)5-8-21(24)18-10-12-23-20-7-6-17(25-2)13-19(18)20;2-1(3)4/h6-7,10,12-13,15-16,21-22,24H,3-5,8-9,11,14H2,1-2H3;(H,2,3,4)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:

3.56

0.31

0.54

InChI=1/C21H31N3O5/c1-22-21(25)23-16-17(26-2)15-9-13-28-18(15)20(27-3)19(16)29-14-12-24-10-7-5-4-6-8-11-24/h9,13H,4-8,10-12,14H2,1-3H3,(H2,22,23,25)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	3.25
XLogP:	2.10

0.52

2.14

InChI=1/C21H31N3O5/c1-22-21(25)23-16-17(26-2)15-9-14-29-18(15)20(27-3)19(16)28-13-8-7-12-24-10-5-4-6-11-24/h9,14H,4-8,10-13H2,1-3H3,(H2,22,23,25)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	2.94
XLogP:	1.90

-0.13

0.69

InChI=1/C21H31N3O5/c1-4-9-22-21(25)23-16-17(26-2)15-8-13-28-18(15)20(27-3)19(16)29-14-12-24-10-6-5-7-11-24/h8,13H,4-7,9-12,14H2,1-3H3,(H2,22,23,25)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	3.19
XLogP:	1.90

0.46

2.09

InChI=1/C21H31N3O5/c1-14(2)22-21(25)23-16-17(26-3)15-8-12-28-18(15)20(27-4)19(16)29-13-11-24-9-6-5-7-10-24/h8,12,14H,5-7,9-11,13H2,1-4H3,(H2,22,23,25)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	3.00
XLogP:	2.00

0.27

1.9

InChI=1/C21H31N3O5/c1-14(2)29-17-15-8-12-27-18(15)20(26-4)19(16(17)23-21(25)22-3)28-13-11-24-9-6-5-7-10-24/h8,12,14H,5-7,9-11,13H2,1-4H3,(H2,22,23,25)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	3.00
XLogP:	2.00

0.28

1.91

InChI=1/C21H31N3O5/c1-14(2)8-9-24(13-18(25)23-21(3,4)5)20(27)19(26)22-15-6-7-16-17(12-15)29-11-10-28-16/h6-7,12,14H,8-11,13H2,1-5H3,(H,22,26)(H,23,25)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	2.51
XLogP:	2.50

2.51

2.51

InChI=1/C21H31N3O5/c1-5-28-17-12-15-16(13-18(17)29-6-2)23-21(27)24(20(15)26)11-7-8-19(25)22-10-9-14(3)4/h12-14H,5-11H2,1-4H3,(H,22,25)(H,23,27)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	3.20
XLogP:	2.60

3.2

3.2

InChI=1/C21H31N3O5/c1-12(21-7-13-4-14(8-21)6-15(5-13)9-21)22-16(25)11-29-17(26)10-24-18(27)20(2,3)23-19(24)28/h12-15H,4-11H2,1-3H3,(H,22,25)(H,23,28)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	2.78
XLogP:	2.50

2.78

2.71

InChI=1/C21H31N3O5/c1-4-5-10-28-11-12-29-16-21(25)23-18-14-22-24(15-18)9-8-17-6-7-19(26-2)20(13-17)27-3/h6-7,13-15H,4-5,8-12,16H2,1-3H3,(H,23,25)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	2.34
XLogP:	2.20

2.34

2.34

InChI=1/C21H31N3O5/c25-20(22-11-16-7-3-9-27-16)18-14-29-19(23-18)13-24(12-17-8-4-10-28-17)21(26)15-5-1-2-6-15/h14-17H,1-13H2,(H,22,25)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	-0.33
XLogP:	1.20

-0.33

-0.33

InChI=1/C21H31N3O5/c25-17(24-20(28)23-16-3-1-2-4-16)12-29-18(26)11-22-19(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h13-16H,1-12H2,(H,22,27)(H2,23,24,25,28)

C₂₁H₃₁N₃O₅

405.4879

405.226371

ACD/LogP:	2.91
XLogP:	3.30

1

Royal Society of Chemistry