3-(1-cyano-1-methylethyl)-N-(3-hydroxy-4-methylphenyl)benzamide

HCID 67313470

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1O
InChIKey: RATBKCWUTFYVDV-UHFFFAOYSA-N
Molecular formula: C18H18N2O2
Average molar mass: 294.3 g/mol
Monoisotopic mass: 294.13682782

Names & identifiers

Preferred name: 3-(1-cyano-1-methylethyl)-N-(3-hydroxy-4-methylphenyl)benzamide
IUPAC: 3-(2-cyanopropan-2-yl)-N-(3-hydroxy-4-methylphenyl)benzamide

Names & synonyms

SCHEMBL2196658RATBKCWUTFYVDV-UHFFFAOYSA-N3-(1-cyano-1-methylethyl)-N-(3-hydroxy-4-methylphenyl)benzamide

Database identifiers

PubChem CID: 67313470

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 73.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 451

Related reactions

8 records

New reaction record

HRID 98826As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1547584As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1569185As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1874601As productuspto-grants-2012_11

HRID 1874602As reactantuspto-grants-2012_11

HRID 2190435As productuspto-grants-2012_12

HRID 2190436As reactantuspto-grants-2012_12

HRID 2322239As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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