1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C21H24N2O2 — CID 110428649

IUPAC1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCN(C(=O)C1CCC(=O)N1Cc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H24N2O2/c1-3-22(18-11-7-8-16(2)14-18)21(25)19-12-13-20(24)23(19)15-17-9-5-4-6-10-17/h4-11,14,19H,3,12-13,15H2,1-2H3
InChIKeyVCNCCWXIOIWBRX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.54
Rot. Bonds5

About 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110428649) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110428649
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCN(C(=O)C1CCC(=O)N1Cc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H24N2O2/c1-3-22(18-11-7-8-16(2)14-18)21(25)19-12-13-20(24)23(19)15-17-9-5-4-6-10-17/h4-11,14,19H,3,12-13,15H2,1-2H3
InChIKeyVCNCCWXIOIWBRX-UHFFFAOYSA-N
XLogP3.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-oxo-N,1-diphenylpyrrolidine-2-carboxamide
CID 110418953
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403
N-ethyl-N-(3-methylphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689188
(2S)-1-[[4-(dimethylamino)phenyl]methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 42127400
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
N-ethyl-3-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 102778923
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110428649) is 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide is CCN(C(=O)C1CCC(=O)N1Cc1ccccc1)c1cccc(C)c1.
What is the InChIKey of 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VCNCCWXIOIWBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-22(18-11-7-8-16(2)14-18)21(25)19-12-13-20(24)23(19)15-17-9-5-4-6-10-17/h4-11,14,19H,3,12-13,15H2,1-2H3.
What are the key properties of 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110428649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).