N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide

C24H27N3O3 — CID 53155746

IUPACN-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccc(C)cc4)CC3=O)ccc21
InChIInChI=1S/C24H27N3O3/c1-3-22(28)26-11-10-18-12-20(8-9-21(18)26)27-15-19(13-23(27)29)24(30)25-14-17-6-4-16(2)5-7-17/h4-9,12,19H,3,10-11,13-15H2,1-2H3,(H,25,30)
InChIKeyHANHZXMSELHXHY-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.96
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide

N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 53155746) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
PubChem CID53155746
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccc(C)cc4)CC3=O)ccc21
InChIInChI=1S/C24H27N3O3/c1-3-22(28)26-11-10-18-12-20(8-9-21(18)26)27-15-19(13-23(27)29)24(30)25-14-17-6-4-16(2)5-7-17/h4-9,12,19H,3,10-11,13-15H2,1-2H3,(H,25,30)
InChIKeyHANHZXMSELHXHY-UHFFFAOYSA-N
XLogP2.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-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

(3S)-N-[(3-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098686
(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098669
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098495
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098496
N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155757
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098606
(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098830
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155687
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098298
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098297
(3S)-5-oxo-N-[(1R)-1-phenylethyl]-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098604
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155717

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide (CID 53155746) is N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide is CCC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccc(C)cc4)CC3=O)ccc21.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is HANHZXMSELHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-22(28)26-11-10-18-12-20(8-9-21(18)26)27-15-19(13-23(27)29)24(30)25-14-17-6-4-16(2)5-7-17/h4-9,12,19H,3,10-11,13-15H2,1-2H3,(H,25,30).
What are the key properties of N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 53155746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).