N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C14H18N2O2 — CID 17120608

IUPACN,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)N(C)C)CC2=O)c1
InChIInChI=1S/C14H18N2O2/c1-10-5-4-6-12(7-10)16-9-11(8-13(16)17)14(18)15(2)3/h4-7,11H,8-9H2,1-3H3
InChIKeyWYGNQARZHBEXKF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.44
Rot. Bonds2

About N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120608) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17120608
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)N(C)C)CC2=O)c1
InChIInChI=1S/C14H18N2O2/c1-10-5-4-6-12(7-10)16-9-11(8-13(16)17)14(18)15(2)3/h4-7,11H,8-9H2,1-3H3
InChIKeyWYGNQARZHBEXKF-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17120608) is N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)N(C)C)CC2=O)c1.
What is the InChIKey of N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WYGNQARZHBEXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-5-4-6-12(7-10)16-9-11(8-13(16)17)14(18)15(2)3/h4-7,11H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).