N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide

C20H22N2O2 — CID 164612820

IUPACN-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-6-17(19(23)15-7-4-3-5-8-15)22-20(24)16-10-9-14-11-12-21-18(14)13-16/h3-5,7-13,17,19,21,23H,2,6H2,1H3,(H,22,24)/t17-,19+/m1/s1
InChIKeyLKIKBGZDKDWNBO-MJGOQNOKSA-N
MW322.41 g/mol
LogP3.80
Rot. Bonds6

About N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide

N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide (PubChem CID 164612820) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide
PubChem CID164612820
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-6-17(19(23)15-7-4-3-5-8-15)22-20(24)16-10-9-14-11-12-21-18(14)13-16/h3-5,7-13,17,19,21,23H,2,6H2,1H3,(H,22,24)/t17-,19+/m1/s1
InChIKeyLKIKBGZDKDWNBO-MJGOQNOKSA-N
XLogP3.80
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indole-6-carboxylic acid
CID 595230
MEK inhibitor
CID 135742497
Hydroxyethylamine derivative, 17
CID 44143263
3-[2-(Dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid
CID 56589667
US9682968, Example-25a (+)
CID 90466447
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
2-benzamido-3-(1H-indol-3-yl)propanoic acid
CID 294891
Tmc-205
CID 9794548
2-{3-[4-(1H-pyrrol-2-yl)phenyl]propanamido}benzoic acid
CID 24741306
ethyl 3-(pyridin-4-yl)-1H-indole-6-carboxylate
CID 44410730
methyl 4-[3-acetyl-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate
CID 3157599
(2S)-2-[[4-[3-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]benzoyl]amino]-3-phenylpropanoic acid
CID 15513650

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide (CID 164612820) is N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide is CCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide?
The InChIKey is LKIKBGZDKDWNBO-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-6-17(19(23)15-7-4-3-5-8-15)22-20(24)16-10-9-14-11-12-21-18(14)13-16/h3-5,7-13,17,19,21,23H,2,6H2,1H3,(H,22,24)/t17-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide?
N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-hydroxy-1-phenylpentan-2-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 164612820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).