p-Cymene-2-carboxamide, 3-hydroxy-N-(2-hydroxyethyl)-, diacetate

HCID 19780

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Basic information

CAS: 3894-07-3
Standard SMILES: CC(=O)OCCNC(=O)c1c(C)ccc(C(C)C)c1OC(C)=O
InChIKey: ZEPJNLWGHDFZAU-UHFFFAOYSA-N
Molecular formula: C17H23NO5
Average molar mass: 321.4 g/mol
Monoisotopic mass: 321.15762283

Names & identifiers

Preferred name: p-Cymene-2-carboxamide, 3-hydroxy-N-(2-hydroxyethyl)-, diacetate
IUPAC: 2-[(2-acetyloxy-6-methyl-3-propan-2-ylbenzoyl)amino]ethyl acetate

Names & synonyms

BRN 2628548p-CYMENE-2-CARBOXAMIDE, 3-HYDROXY-N-(2-HYDROXYETHYL)-, DIACETATEDTXSID801922303894-07-33-Hydroxy-N-(2-hydroxyethyl)-p-cymene-2-carboxamide diacetateRefChem:367625DTXCID901147212-{[2-(Acetyloxy)ethyl]carbamoyl}-3-methyl-6-(propan-2-yl)phenyl acetate

Database identifiers

CAS: 3894-07-3
PubChem CID: 19780
DTXSID: DTXSID80192230
Nikkaji: J85.279A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 81.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 435

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