N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

C21H24N2O2 — CID 9228105

IUPACN-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-15-9-10-18(16(2)12-15)14-22(3)21(25)17-6-4-7-19(13-17)23-11-5-8-20(23)24/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3
InChIKeyITSLOCNZHUBVCP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.70
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9228105) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9228105
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-15-9-10-18(16(2)12-15)14-22(3)21(25)17-6-4-7-19(13-17)23-11-5-8-20(23)24/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3
InChIKeyITSLOCNZHUBVCP-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9228105) is N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ITSLOCNZHUBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-9-10-18(16(2)12-15)14-22(3)21(25)17-6-4-7-19(13-17)23-11-5-8-20(23)24/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9228105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).