N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide

C21H24N2O2 — CID 45238839

IUPACN-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
SMILESO=C(CCC1(Cc2ccccc2)CCC(=O)N1)NCc1ccccc1
InChIInChI=1S/C21H24N2O2/c24-19(22-16-18-9-5-2-6-10-18)11-13-21(14-12-20(25)23-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,22,24)(H,23,25)
InChIKeyPOXXVEPGUTYYSV-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.97
Rot. Bonds7

About N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide

N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide (PubChem CID 45238839) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
PubChem CID45238839
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
SMILESO=C(CCC1(Cc2ccccc2)CCC(=O)N1)NCc1ccccc1
InChIInChI=1S/C21H24N2O2/c24-19(22-16-18-9-5-2-6-10-18)11-13-21(14-12-20(25)23-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,22,24)(H,23,25)
InChIKeyPOXXVEPGUTYYSV-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide 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

N-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42371762
3-[2-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91786804
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42453177
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 26355431
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
CID 45185306
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26278897
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42440951
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42168999
N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42451722
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135907220
3-[2-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91795378
N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
CID 45228319

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide?
The IUPAC name of N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide (CID 45238839) is N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide?
The canonical SMILES for N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide is O=C(CCC1(Cc2ccccc2)CCC(=O)N1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide?
The InChIKey is POXXVEPGUTYYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-19(22-16-18-9-5-2-6-10-18)11-13-21(14-12-20(25)23-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide?
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide is sourced from PubChem (CID 45238839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).