p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate

HCID 19781

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Basic information

CAS: 3894-08-4
Standard SMILES: CC(=O)Oc1c(C(C)C)ccc(C)c1C(=O)NCCc1ccccc1
InChIKey: MPHSELCRHZKAAK-UHFFFAOYSA-N
Molecular formula: C21H25NO3
Average molar mass: 339.4 g/mol
Monoisotopic mass: 339.18344366

Names & identifiers

Preferred name: p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate
IUPAC: [3-methyl-2-(2-phenylethylcarbamoyl)-6-propan-2-ylphenyl] acetate

Names & synonyms

BRN 2819720p-CYMENE-2-CARBOXAMIDE, 3-HYDROXY-N-PHENETHYL-, ACETATEDTXSID401922313-Hydroxy-N-phenethyl-p-cymene-2-carboxamide acetate3894-08-4RefChem:367627DTXCID501147223-methyl-2-[(2-phenylethyl)carbamoyl]-6-(propan-2-yl)phenyl acetate

Database identifiers

CAS: 3894-08-4
PubChem CID: 19781
DTXSID: DTXSID40192231
Nikkaji: J85.282A

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 442

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