N,N-dimethyl-2-(2-oxoethyl)benzamide

C11H13NO2 — CID 145181093

IUPACN,N-dimethyl-2-(2-oxoethyl)benzamide
SMILESCN(C)C(=O)c1ccccc1CC=O
InChIInChI=1S/C11H13NO2/c1-12(2)11(14)10-6-4-3-5-9(10)7-8-13/h3-6,8H,7H2,1-2H3
InChIKeyDNDVDAWPILVGGH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.13
Rot. Bonds3

About N,N-dimethyl-2-(2-oxoethyl)benzamide

N,N-dimethyl-2-(2-oxoethyl)benzamide (PubChem CID 145181093) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-oxoethyl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-oxoethyl)benzamide
PubChem CID145181093
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN,N-dimethyl-2-(2-oxoethyl)benzamide
SMILESCN(C)C(=O)c1ccccc1CC=O
InChIInChI=1S/C11H13NO2/c1-12(2)11(14)10-6-4-3-5-9(10)7-8-13/h3-6,8H,7H2,1-2H3
InChIKeyDNDVDAWPILVGGH-UHFFFAOYSA-N
XLogP1.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-formamido-N,N-dimethylbenzamide
CID 64992505
2-[2-(2-oxoethyl)phenyl]prop-2-enoic acid
CID 123926990
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
CID 18660310
N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide
CID 177348316
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide
CID 89411599
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
2-(2-chlorophenyl)-N,N-dimethylbenzamide
CID 175929167
2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde
CID 143993622
N,N-dimethyl-2-(prop-2-ynylamino)benzamide
CID 63953084
phthalic acid;propanal
CID 160555514

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-oxoethyl)benzamide?
The IUPAC name of N,N-dimethyl-2-(2-oxoethyl)benzamide (CID 145181093) is N,N-dimethyl-2-(2-oxoethyl)benzamide.
What is the SMILES notation for N,N-dimethyl-2-(2-oxoethyl)benzamide?
The canonical SMILES for N,N-dimethyl-2-(2-oxoethyl)benzamide is CN(C)C(=O)c1ccccc1CC=O.
What is the InChIKey of N,N-dimethyl-2-(2-oxoethyl)benzamide?
The InChIKey is DNDVDAWPILVGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(2)11(14)10-6-4-3-5-9(10)7-8-13/h3-6,8H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-oxoethyl)benzamide?
N,N-dimethyl-2-(2-oxoethyl)benzamide has a molecular weight of 191.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-oxoethyl)benzamide is sourced from PubChem (CID 145181093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).