methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

C22H24N2O4 — CID 113189282

IUPACmethyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc(C(=O)OC)c2)C1
InChIInChI=1S/C22H24N2O4/c1-3-23(14-16-8-5-4-6-9-16)21(26)18-13-20(25)24(15-18)19-11-7-10-17(12-19)22(27)28-2/h4-12,18H,3,13-15H2,1-2H3
InChIKeyWOCPKTDLIIEFNE-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.87
Rot. Bonds6

About methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (PubChem CID 113189282) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
PubChem CID113189282
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc(C(=O)OC)c2)C1
InChIInChI=1S/C22H24N2O4/c1-3-23(14-16-8-5-4-6-9-16)21(26)18-13-20(25)24(15-18)19-11-7-10-17(12-19)22(27)28-2/h4-12,18H,3,13-15H2,1-2H3
InChIKeyWOCPKTDLIIEFNE-UHFFFAOYSA-N
XLogP2.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189313
1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113188899
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113187488
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
N-benzyl-1-(3,4-dimethoxyphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 55600017
methyl 3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189320
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
methyl 4-[[1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42946684
N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190542
(3R)-N-benzyl-N-ethyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364935
methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693233

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (CID 113189282) is methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is CCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc(C(=O)OC)c2)C1.
What is the InChIKey of methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The InChIKey is WOCPKTDLIIEFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-23(14-16-8-5-4-6-9-16)21(26)18-13-20(25)24(15-18)19-11-7-10-17(12-19)22(27)28-2/h4-12,18H,3,13-15H2,1-2H3.
What are the key properties of methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate has a molecular weight of 380.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 113189282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).