1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C14H18N2O2 — CID 110687248

IUPAC1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N2C)cc1
InChIInChI=1S/C14H18N2O2/c1-10-3-5-11(6-4-10)9-15-14(18)12-7-8-13(17)16(12)2/h3-6,12H,7-9H2,1-2H3,(H,15,18)
InChIKeyAXCHSIFBNPBYOP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.23
Rot. Bonds3

About 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110687248) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110687248
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N2C)cc1
InChIInChI=1S/C14H18N2O2/c1-10-3-5-11(6-4-10)9-15-14(18)12-7-8-13(17)16(12)2/h3-6,12H,7-9H2,1-2H3,(H,15,18)
InChIKeyAXCHSIFBNPBYOP-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146142207
(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642595
N-[(2,3-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303311
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303314

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110687248) is 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N2C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AXCHSIFBNPBYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-3-5-11(6-4-10)9-15-14(18)12-7-8-13(17)16(12)2/h3-6,12H,7-9H2,1-2H3,(H,15,18).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110687248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).