N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

C20H20N2O3 — CID 110667340

IUPACN-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCc2ccc(C(=O)c3ccccc3)cc2)N1
InChIInChI=1S/C20H20N2O3/c23-18-11-10-17(22-18)20(25)21-13-12-14-6-8-16(9-7-14)19(24)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,21,25)(H,22,23)
InChIKeyMEAIGQZNVMBWEN-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110667340) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110667340
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCc2ccc(C(=O)c3ccccc3)cc2)N1
InChIInChI=1S/C20H20N2O3/c23-18-11-10-17(22-18)20(25)21-13-12-14-6-8-16(9-7-14)19(24)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,21,25)(H,22,23)
InChIKeyMEAIGQZNVMBWEN-UHFFFAOYSA-N
XLogP1.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[[(2S)-7-oxoazepane-2-carbonyl]amino]ethyl]benzoate
CID 124626533
diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
CID 174442978
N-[2-(3-chloro-4-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795926
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 95059523
5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide
CID 110667574
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide
CID 110664435
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741045
(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146133576
N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795843
N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741831

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 110667340) is N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCCc2ccc(C(=O)c3ccccc3)cc2)N1.
What is the InChIKey of N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MEAIGQZNVMBWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-11-10-17(22-18)20(25)21-13-12-14-6-8-16(9-7-14)19(24)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,21,25)(H,22,23).
What are the key properties of N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110667340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).