(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide

C20H22N2O2 — CID 92710280

IUPAC(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)cc1
InChIInChI=1S/C20H22N2O2/c1-3-15-8-10-16(11-9-15)13-21-20(24)19-12-17-6-4-5-7-18(17)22(19)14(2)23/h4-11,19H,3,12-13H2,1-2H3,(H,21,24)/t19-/m0/s1
InChIKeyLVPCYHJCJZOAIY-IBGZPJMESA-N
MW322.41 g/mol
LogP2.84
Rot. Bonds4

About (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 92710280) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID92710280
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)cc1
InChIInChI=1S/C20H22N2O2/c1-3-15-8-10-16(11-9-15)13-21-20(24)19-12-17-6-4-5-7-18(17)22(19)14(2)23/h4-11,19H,3,12-13H2,1-2H3,(H,21,24)/t19-/m0/s1
InChIKeyLVPCYHJCJZOAIY-IBGZPJMESA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-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

1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 138995578
(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 155952931
(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 86941910
1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954431
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
(3R)-2-(benzenesulfonyl)-N-[(4-ethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075288

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide (CID 92710280) is (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide is CCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)cc1.
What is the InChIKey of (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is LVPCYHJCJZOAIY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-15-8-10-16(11-9-15)13-21-20(24)19-12-17-6-4-5-7-18(17)22(19)14(2)23/h4-11,19H,3,12-13H2,1-2H3,(H,21,24)/t19-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 92710280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).