N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C19H20N2O2 — CID 110373746

IUPACN-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(N2C(=O)CCC2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-7-9-16(10-8-14)21-17(11-12-18(21)22)19(23)20-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,20,23)
InChIKeyAYMBXMLMVUTVBH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.81
Rot. Bonds4

About N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide

N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110373746) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110373746
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(N2C(=O)CCC2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-7-9-16(10-8-14)21-17(11-12-18(21)22)19(23)20-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,20,23)
InChIKeyAYMBXMLMVUTVBH-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110608605
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373767
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373818
N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110630711
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 110406517
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide
CID 21291420
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110374015
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110373746) is N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccc(N2C(=O)CCC2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AYMBXMLMVUTVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-7-9-16(10-8-14)21-17(11-12-18(21)22)19(23)20-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,20,23).
What are the key properties of N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110373746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).