3-benzoyl-N-methoxy-N-methylbenzamide

C16H15NO3 — CID 86595919

IUPAC3-benzoyl-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-17(20-2)16(19)14-10-6-9-13(11-14)15(18)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyBGGVXKRSJMZGEC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.55
Rot. Bonds4

About 3-benzoyl-N-methoxy-N-methylbenzamide

3-benzoyl-N-methoxy-N-methylbenzamide (PubChem CID 86595919) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-benzoyl-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-benzoyl-N-methoxy-N-methylbenzamide
PubChem CID86595919
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-benzoyl-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-17(20-2)16(19)14-10-6-9-13(11-14)15(18)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyBGGVXKRSJMZGEC-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
CID 87529110
CID 87529110
N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 60717294
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673
N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide
CID 58962540
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide
CID 87067779
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
4-benzoyl-N,N-dimethylbenzamide
CID 12779824

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-methoxy-N-methylbenzamide?
The IUPAC name of 3-benzoyl-N-methoxy-N-methylbenzamide (CID 86595919) is 3-benzoyl-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-benzoyl-N-methoxy-N-methylbenzamide?
The canonical SMILES for 3-benzoyl-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzoyl-N-methoxy-N-methylbenzamide?
The InChIKey is BGGVXKRSJMZGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(20-2)16(19)14-10-6-9-13(11-14)15(18)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of 3-benzoyl-N-methoxy-N-methylbenzamide?
3-benzoyl-N-methoxy-N-methylbenzamide has a molecular weight of 269.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 86595919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).