3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid

C21H22N2O4 — CID 120541330

IUPAC3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(=O)N1CCc2cc(C(=O)Nc3ccc(CC(C)C(=O)O)cc3)ccc21
InChIInChI=1S/C21H22N2O4/c1-13(21(26)27)11-15-3-6-18(7-4-15)22-20(25)17-5-8-19-16(12-17)9-10-23(19)14(2)24/h3-8,12-13H,9-11H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyGIFFAWHYXBIPMH-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.11
Rot. Bonds5

About 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid

3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 120541330) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID120541330
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(=O)N1CCc2cc(C(=O)Nc3ccc(CC(C)C(=O)O)cc3)ccc21
InChIInChI=1S/C21H22N2O4/c1-13(21(26)27)11-15-3-6-18(7-4-15)22-20(25)17-5-8-19-16(12-17)9-10-23(19)14(2)24/h3-8,12-13H,9-11H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyGIFFAWHYXBIPMH-UHFFFAOYSA-N
XLogP3.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid 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-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 51959933
2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 119254151
2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
CID 119233763
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 34499300
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119218926
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid (CID 120541330) is 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid is CC(=O)N1CCc2cc(C(=O)Nc3ccc(CC(C)C(=O)O)cc3)ccc21.
What is the InChIKey of 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is GIFFAWHYXBIPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13(21(26)27)11-15-3-6-18(7-4-15)22-20(25)17-5-8-19-16(12-17)9-10-23(19)14(2)24/h3-8,12-13H,9-11H2,1-2H3,(H,22,25)(H,26,27).
What are the key properties of 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid?
3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 366.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 120541330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).