N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide

C14H18N2O2 — CID 96506235

IUPACN,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)N(C)[C@H]1CCN(C)C1=O
InChIInChI=1S/C14H18N2O2/c1-10-6-4-5-7-11(10)13(17)16(3)12-8-9-15(2)14(12)18/h4-7,12H,8-9H2,1-3H3/t12-/m0/s1
InChIKeyWHCQAYAERBKVCG-LBPRGKRZSA-N
MW246.31 g/mol
LogP1.30
Rot. Bonds2

About N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide

N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 96506235) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
PubChem CID96506235
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)N(C)[C@H]1CCN(C)C1=O
InChIInChI=1S/C14H18N2O2/c1-10-6-4-5-7-11(10)13(17)16(3)12-8-9-15(2)14(12)18/h4-7,12H,8-9H2,1-3H3/t12-/m0/s1
InChIKeyWHCQAYAERBKVCG-LBPRGKRZSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide (CID 96506235) is N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide is Cc1ccccc1C(=O)N(C)[C@H]1CCN(C)C1=O.
What is the InChIKey of N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is WHCQAYAERBKVCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-6-4-5-7-11(10)13(17)16(3)12-8-9-15(2)14(12)18/h4-7,12H,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 246.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 96506235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).