1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide

C22H24N2O3 — CID 113188899

IUPAC1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2ccc(C(C)=O)cc2)C1
InChIInChI=1S/C22H24N2O3/c1-3-23(14-17-7-5-4-6-8-17)22(27)19-13-21(26)24(15-19)20-11-9-18(10-12-20)16(2)25/h4-12,19H,3,13-15H2,1-2H3
InChIKeyCUKKJRBDLMAJLH-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.29
Rot. Bonds6

About 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide

1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113188899) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113188899
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2ccc(C(C)=O)cc2)C1
InChIInChI=1S/C22H24N2O3/c1-3-23(14-17-7-5-4-6-8-17)22(27)19-13-21(26)24(15-19)20-11-9-18(10-12-20)16(2)25/h4-12,19H,3,13-15H2,1-2H3
InChIKeyCUKKJRBDLMAJLH-UHFFFAOYSA-N
XLogP3.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189282
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113187488
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190542
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
methyl 3-[benzyl-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55547764
N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082044
(3R)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2376773
N-benzyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186693

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 113188899) is 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2ccc(C(C)=O)cc2)C1.
What is the InChIKey of 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CUKKJRBDLMAJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-23(14-17-7-5-4-6-8-17)22(27)19-13-21(26)24(15-19)20-11-9-18(10-12-20)16(2)25/h4-12,19H,3,13-15H2,1-2H3.
What are the key properties of 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113188899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).