N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide

C19H18N2O2 — CID 97086507

IUPACN-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
SMILESC[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C19H18N2O2/c1-13(12-18(22)14-6-3-2-4-7-14)21-19(23)16-8-5-9-17-15(16)10-11-20-17/h2-11,13,20H,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyNTCZYRVLFOFYSH-ZDUSSCGKSA-N
MW306.37 g/mol
LogP3.56
Rot. Bonds5

About N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide

N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide (PubChem CID 97086507) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
PubChem CID97086507
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
SMILESC[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C19H18N2O2/c1-13(12-18(22)14-6-3-2-4-7-14)21-19(23)16-8-5-9-17-15(16)10-11-20-17/h2-11,13,20H,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyNTCZYRVLFOFYSH-ZDUSSCGKSA-N
XLogP3.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467273
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
1H-indole-4-carbohydrazide
CID 43316644
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide?
The IUPAC name of N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide (CID 97086507) is N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide is C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide?
The InChIKey is NTCZYRVLFOFYSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(12-18(22)14-6-3-2-4-7-14)21-19(23)16-8-5-9-17-15(16)10-11-20-17/h2-11,13,20H,12H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide?
N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 97086507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).