p-Cymene-2-carboxylic acid, 3-(2-morpholinoethoxy)-, ethyl ester

HCID 40217

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Basic information

CAS: 52073-28-6
Standard SMILES: CCOC(=O)c1c(C)ccc(C(C)C)c1OCCN1CCOCC1
InChIKey: DUTKSCXDHLBQRC-UHFFFAOYSA-N
Molecular formula: C19H29NO4
Average molar mass: 335.4 g/mol
Monoisotopic mass: 335.20965841

Names & identifiers

Preferred name: p-Cymene-2-carboxylic acid, 3-(2-morpholinoethoxy)-, ethyl ester
IUPAC: ethyl 6-methyl-2-(2-morpholin-4-ylethoxy)-3-propan-2-ylbenzoate
English name: 3-(2-Morpholinoethoxy)-p-cymene-2-carboxylic acid ethyl ester
Molecular formula: C19H29NO4
Molecular weight: 335.44

Names & synonyms

BRN 0822406p-CYMENE-2-CARBOXYLIC ACID, 3-(2-MORPHOLINOETHOXY)-, ETHYL ESTEREthyl 3-(2-morpholinoethoxy)-p-cymene-2-carboxylate52073-28-6DTXSID80200066RefChem:367656DTXCID80122557ethyl 6-methyl-2-[2-(morpholin-4-yl)ethoxy]-3-(propan-2-yl)benzoate3-(2-Morpholinoethoxy)-p-cymene-2-carboxylic acid ethyl esterBenzoic acid, 6-methyl-3-(1-methylethyl)-2-[2-(4-morpholinyl)ethoxy]-, ethyl ester

Database identifiers

CAS: 52073-28-6
PubChem CID: 40217
DTXSID: DTXSID80200066
Nikkaji: J85.319D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 48 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 382

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