3-(2-methylphenyl)-3-oxo-2-phenylpropanamide

C16H15NO2 — CID 174882127

IUPAC3-(2-methylphenyl)-3-oxo-2-phenylpropanamide
SMILESCc1ccccc1C(=O)C(C(N)=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-11-7-5-6-10-13(11)15(18)14(16(17)19)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,17,19)
InChIKeyXRRSCKMYQRJLNZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.45
Rot. Bonds4

About 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide

3-(2-methylphenyl)-3-oxo-2-phenylpropanamide (PubChem CID 174882127) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-3-oxo-2-phenylpropanamide
PubChem CID174882127
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-(2-methylphenyl)-3-oxo-2-phenylpropanamide
SMILESCc1ccccc1C(=O)C(C(N)=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-11-7-5-6-10-13(11)15(18)14(16(17)19)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,17,19)
InChIKeyXRRSCKMYQRJLNZ-UHFFFAOYSA-N
XLogP2.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2-methylphenyl)-3-oxopropanamide
CID 121217093
3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoic acid
CID 141016753
2-methylbenzamide;molecular hydrogen
CID 177161283
2-methylbenzamide;phenol
CID 160508327
2-[(2-methylphenyl)-phenylmethyl]benzamide
CID 68831264
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-hydroxy-1-(2-methylphenyl)-2-phenylethanone;4-methylbenzenesulfonic acid
CID 87744419
2-(methylamino)-1-(2-methylphenyl)propan-1-one
CID 56603536
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-cyano-3-(2-methylphenyl)-3-oxopropanoic acid
CID 175801821
2-hydroxy-2-phenylacetamide;hydrochloride
CID 67718904

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide?
The IUPAC name of 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide (CID 174882127) is 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide.
What is the SMILES notation for 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide?
The canonical SMILES for 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide is Cc1ccccc1C(=O)C(C(N)=O)c1ccccc1.
What is the InChIKey of 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide?
The InChIKey is XRRSCKMYQRJLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-7-5-6-10-13(11)15(18)14(16(17)19)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,17,19).
What are the key properties of 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide?
3-(2-methylphenyl)-3-oxo-2-phenylpropanamide has a molecular weight of 253.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-3-oxo-2-phenylpropanamide is sourced from PubChem (CID 174882127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).