2-(3-benzoylphenyl)-N,N-dimethylpropanamide

C18H19NO2 — CID 3042316

IUPAC2-(3-benzoylphenyl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO2/c1-13(18(21)19(2)3)15-10-7-11-16(12-15)17(20)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyICEJJANOGABWPA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.11
Rot. Bonds4

About 2-(3-benzoylphenyl)-N,N-dimethylpropanamide

2-(3-benzoylphenyl)-N,N-dimethylpropanamide (PubChem CID 3042316) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-N,N-dimethylpropanamide
PubChem CID3042316
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(3-benzoylphenyl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO2/c1-13(18(21)19(2)3)15-10-7-11-16(12-15)17(20)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyICEJJANOGABWPA-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
CID 66964934
CID 66964934
CID 157056025
CID 157056025
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
2-(3-benzoylphenyl)propanoic acid;phenol
CID 161129325
2-(3-benzoylphenyl)propanoic acid;N,N-diethylethanamine
CID 146624799
2-(3-benzoylphenyl)propanoic acid;(E)-but-2-enedioic acid
CID 67837917
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918
N,N-dimethyl-2-(3-phenoxyphenyl)propanamide
CID 21328452
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
1-aminoethylideneazanium;2-(3-benzoylphenyl)propanoate
CID 158675776

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(3-benzoylphenyl)-N,N-dimethylpropanamide (CID 3042316) is 2-(3-benzoylphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(3-benzoylphenyl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-N,N-dimethylpropanamide?
The InChIKey is ICEJJANOGABWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(18(21)19(2)3)15-10-7-11-16(12-15)17(20)14-8-5-4-6-9-14/h4-13H,1-3H3.
What are the key properties of 2-(3-benzoylphenyl)-N,N-dimethylpropanamide?
2-(3-benzoylphenyl)-N,N-dimethylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 3042316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).