N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide

C29H31N3O3 — CID 4918943

IUPACN-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
SMILESCc1cc(N2CCCC2=O)c(NC(=O)CCc2ccccc2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C29H31N3O3/c1-21-19-26(32-18-8-13-29(32)35)25(31-28(34)17-15-23-11-6-3-7-12-23)20-24(21)30-27(33)16-14-22-9-4-2-5-10-22/h2-7,9-12,19-20H,8,13-18H2,1H3,(H,30,33)(H,31,34)
InChIKeyLNAONAMDBOLCEO-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.26
Rot. Bonds9

About N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide

N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide (PubChem CID 4918943) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
PubChem CID4918943
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
SMILESCc1cc(N2CCCC2=O)c(NC(=O)CCc2ccccc2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C29H31N3O3/c1-21-19-26(32-18-8-13-29(32)35)25(31-28(34)17-15-23-11-6-3-7-12-23)20-24(21)30-27(33)16-14-22-9-4-2-5-10-22/h2-7,9-12,19-20H,8,13-18H2,1H3,(H,30,33)(H,31,34)
InChIKeyLNAONAMDBOLCEO-UHFFFAOYSA-N
XLogP5.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide (CID 4918943) is N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide is Cc1cc(N2CCCC2=O)c(NC(=O)CCc2ccccc2)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide?
The InChIKey is LNAONAMDBOLCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-21-19-26(32-18-8-13-29(32)35)25(31-28(34)17-15-23-11-6-3-7-12-23)20-24(21)30-27(33)16-14-22-9-4-2-5-10-22/h2-7,9-12,19-20H,8,13-18H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide?
N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide has a molecular weight of 469.59 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-oxopyrrolidin-1-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 4918943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).