N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide

C21H24N2O2 — CID 95302760

IUPACN-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c24-18(13-16-7-2-1-3-8-16)15-23-21(25)12-6-9-17-14-22-20-11-5-4-10-19(17)20/h1-5,7-8,10-11,14,18,22,24H,6,9,12-13,15H2,(H,23,25)/t18-/m0/s1
InChIKeyKQQIYXJEQJZLCO-SFHVURJKSA-N
MW336.44 g/mol
LogP3.21
Rot. Bonds8

About N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide

N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 95302760) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
PubChem CID95302760
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c24-18(13-16-7-2-1-3-8-16)15-23-21(25)12-6-9-17-14-22-20-11-5-4-10-19(17)20/h1-5,7-8,10-11,14,18,22,24H,6,9,12-13,15H2,(H,23,25)/t18-/m0/s1
InChIKeyKQQIYXJEQJZLCO-SFHVURJKSA-N
XLogP3.21
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1H-indol-3-yl)butanoylamino]-3-phenylpropanoic acid
CID 6917052
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51153675
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
CID 111425971
N-(2-cyclopropylpropyl)-4-(1H-indol-3-yl)butanamide
CID 115591193
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide (CID 95302760) is N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NC[C@@H](O)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is KQQIYXJEQJZLCO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-18(13-16-7-2-1-3-8-16)15-23-21(25)12-6-9-17-14-22-20-11-5-4-10-19(17)20/h1-5,7-8,10-11,14,18,22,24H,6,9,12-13,15H2,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide?
N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 336.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 95302760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).