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

C21H22N2O4 — CID 119254151

IUPAC2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(=O)N1CCc2cc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)ccc21
InChIInChI=1S/C21H22N2O4/c1-13(24)23-11-10-14-12-15(4-9-18(14)23)19(25)22-17-7-5-16(6-8-17)21(2,3)20(26)27/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyPPOOJGNBNOMQGQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.21
Rot. Bonds4

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

2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 119254151) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID119254151
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(=O)N1CCc2cc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)ccc21
InChIInChI=1S/C21H22N2O4/c1-13(24)23-11-10-14-12-15(4-9-18(14)23)19(25)22-17-7-5-16(6-8-17)21(2,3)20(26)27/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyPPOOJGNBNOMQGQ-UHFFFAOYSA-N
XLogP3.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 120528737
3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541330
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
CID 51219427
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
CID 42423988
1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 52533407
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide
CID 39628262

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid (CID 119254151) is 2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid is CC(=O)N1CCc2cc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)ccc21.
What is the InChIKey of 2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is PPOOJGNBNOMQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13(24)23-11-10-14-12-15(4-9-18(14)23)19(25)22-17-7-5-16(6-8-17)21(2,3)20(26)27/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,26,27).
What are the key properties of 2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid?
2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 366.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119254151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).