N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide

C104H99N13O12 — CID 158673348

IUPACN-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide
SMILESCN(C)Cc1cccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CNC(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NC1CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCc1ccccc1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C30H30N4O3.C28H25N3O3.C24H23N3O3.C22H21N3O3/c1-34(2)19-21-5-3-8-27(17-21)32-30(37)26-7-4-6-25(18-26)28(20-35)33-29(36)24-11-9-22(10-12-24)23-13-15-31-16-14-23;32-19-26(31-28(34)23-11-9-21(10-12-23)22-13-15-29-16-14-22)24-7-4-8-25(17-24)27(33)30-18-20-5-2-1-3-6-20;28-15-22(19-2-1-3-20(14-19)24(30)26-21-8-9-21)27-23(29)18-6-4-16(5-7-18)17-10-12-25-13-11-17;1-23-21(27)19-4-2-3-18(13-19)20(14-26)25-22(28)17-7-5-15(6-8-17)16-9-11-24-12-10-16/h3-18,28,35H,19-20H2,1-2H3,(H,32,37)(H,33,36);1-17,26,32H,18-19H2,(H,30,33)(H,31,34);1-7,10-14,21-22,28H,8-9,15H2,(H,26,30)(H,27,29);2-13,20,26H,14H2,1H3,(H,23,27)(H,25,28)/t28-;26-;22-;20-/m1111/s1
InChIKeyIEFIHHYSXHADQG-YVMLEUOQSA-N
MW1723.01 g/mol
LogP14.34
Rot. Bonds30

About N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide

N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide (PubChem CID 158673348) has the molecular formula C104H99N13O12 and a molecular weight of 1723.01 g/mol. Its IUPAC name is N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide
PubChem CID158673348
Molecular FormulaC104H99N13O12
Molecular Weight1723.01 g/mol
Exact Mass1721.75
IUPAC NameN-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide
SMILESCN(C)Cc1cccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CNC(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NC1CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCc1ccccc1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C30H30N4O3.C28H25N3O3.C24H23N3O3.C22H21N3O3/c1-34(2)19-21-5-3-8-27(17-21)32-30(37)26-7-4-6-25(18-26)28(20-35)33-29(36)24-11-9-22(10-12-24)23-13-15-31-16-14-23;32-19-26(31-28(34)23-11-9-21(10-12-23)22-13-15-29-16-14-22)24-7-4-8-25(17-24)27(33)30-18-20-5-2-1-3-6-20;28-15-22(19-2-1-3-20(14-19)24(30)26-21-8-9-21)27-23(29)18-6-4-16(5-7-18)17-10-12-25-13-11-17;1-23-21(27)19-4-2-3-18(13-19)20(14-26)25-22(28)17-7-5-15(6-8-17)16-9-11-24-12-10-16/h3-18,28,35H,19-20H2,1-2H3,(H,32,37)(H,33,36);1-17,26,32H,18-19H2,(H,30,33)(H,31,34);1-7,10-14,21-22,28H,8-9,15H2,(H,26,30)(H,27,29);2-13,20,26H,14H2,1H3,(H,23,27)(H,25,28)/t28-;26-;22-;20-/m1111/s1
InChIKeyIEFIHHYSXHADQG-YVMLEUOQSA-N
XLogP14.34
TPSA368.52 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001723.01
LogP ≤ 514.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Analyze N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474999
3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide
CID 139400387
1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-pyridin-4-ylpropan-2-ylamino)butan-2-yl]-5-piperidin-1-yl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 90655842
1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-pyridin-3-ylpropan-2-ylamino)butan-2-yl]-5-piperidin-1-yl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 90655857
N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474953
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474962
N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474963
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474968
3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)benzamide
CID 134474981
N-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474984
N-[(1-ethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474986
3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 134474997

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide (CID 158673348) is N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide is CN(C)Cc1cccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CNC(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NC1CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCc1ccccc1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide?
The InChIKey is IEFIHHYSXHADQG-YVMLEUOQSA-N. The full InChI is InChI=1S/C30H30N4O3.C28H25N3O3.C24H23N3O3.C22H21N3O3/c1-34(2)19-21-5-3-8-27(17-21)32-30(37)26-7-4-6-25(18-26)28(20-35)33-29(36)24-11-9-22(10-12-24)23-13-15-31-16-14-23;32-19-26(31-28(34)23-11-9-21(10-12-23)22-13-15-29-16-14-22)24-7-4-8-25(17-24)27(33)30-18-20-5-2-1-3-6-20;28-15-22(19-2-1-3-20(14-19)24(30)26-21-8-9-21)27-23(29)18-6-4-16(5-7-18)17-10-12-25-13-11-17;1-23-21(27)19-4-2-3-18(13-19)20(14-26)25-22(28)17-7-5-15(6-8-17)16-9-11-24-12-10-16/h3-18,28,35H,19-20H2,1-2H3,(H,32,37)(H,33,36);1-17,26,32H,18-19H2,(H,30,33)(H,31,34);1-7,10-14,21-22,28H,8-9,15H2,(H,26,30)(H,27,29);2-13,20,26H,14H2,1H3,(H,23,27)(H,25,28)/t28-;26-;22-;20-/m1111/s1.
What are the key properties of N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide?
N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide has a molecular weight of 1723.01 g/mol, XLogP of 14.34, 30 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide is sourced from PubChem (CID 158673348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).