N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide

C20H20N2O3 — CID 110423663

IUPACN-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H20N2O3/c1-14(23)16-7-9-17(10-8-16)21-20(25)18-11-12-19(24)22(18)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,25)
InChIKeyCSHUWIJOVSTPOC-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.02
Rot. Bonds5

About N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide

N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110423663) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110423663
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H20N2O3/c1-14(23)16-7-9-17(10-8-16)21-20(25)18-11-12-19(24)22(18)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,25)
InChIKeyCSHUWIJOVSTPOC-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110627221
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687375
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110427077
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110612890
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide (CID 110423663) is N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide is CC(=O)c1ccc(NC(=O)C2CCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CSHUWIJOVSTPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14(23)16-7-9-17(10-8-16)21-20(25)18-11-12-19(24)22(18)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide?
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110423663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).