1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H24N2O2 — CID 4885533

IUPAC1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-16-8-6-7-11-18(16)14-22(2)21(25)19-12-20(24)23(15-19)13-17-9-4-3-5-10-17/h3-11,19H,12-15H2,1-2H3
InChIKeyMZHFAVVXAWISSN-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.00
Rot. Bonds5

About 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4885533) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4885533
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-16-8-6-7-11-18(16)14-22(2)21(25)19-12-20(24)23(15-19)13-17-9-4-3-5-10-17/h3-11,19H,12-15H2,1-2H3
InChIKeyMZHFAVVXAWISSN-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 4885533) is 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1CN(C)C(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MZHFAVVXAWISSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-8-6-7-11-18(16)14-22(2)21(25)19-12-20(24)23(15-19)13-17-9-4-3-5-10-17/h3-11,19H,12-15H2,1-2H3.
What are the key properties of 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4885533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).