N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C16H22N2O2 — CID 134058787

IUPACN-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H22N2O2/c1-12(2)11-17(3)16(20)13-6-4-7-14(10-13)18-9-5-8-15(18)19/h4,6-7,10,12H,5,8-9,11H2,1-3H3
InChIKeyHFQGXZXFZFQKEW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.54
Rot. Bonds4

About N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 134058787) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID134058787
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H22N2O2/c1-12(2)11-17(3)16(20)13-6-4-7-14(10-13)18-9-5-8-15(18)19/h4,6-7,10,12H,5,8-9,11H2,1-3H3
InChIKeyHFQGXZXFZFQKEW-UHFFFAOYSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 134058787) is N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide is CC(C)CN(C)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HFQGXZXFZFQKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)11-17(3)16(20)13-6-4-7-14(10-13)18-9-5-8-15(18)19/h4,6-7,10,12H,5,8-9,11H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 134058787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).