p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, methyl ester

HCID 40211

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Basic information

CAS: 52073-22-0
Standard SMILES: COC(=O)c1c(C)ccc(C(C)C)c1OCCN(C)C
InChIKey: YJVPMWAGSODFAA-UHFFFAOYSA-N
Molecular formula: C16H25NO3
Average molar mass: 279.37 g/mol
Monoisotopic mass: 279.18344366

Names & identifiers

Preferred name: p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, methyl ester
IUPAC: methyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
English name: 3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid methyl ester
Molecular formula: C16H25NO3
Molecular weight: 279.37

Names & synonyms

52073-22-0BRN 2740512p-CYMENE-2-CARBOXYLIC ACID, 3-(2-(DIMETHYLAMINO)ETHOXY)-, METHYL ESTERMethyl 3-(2-(dimethylamino)ethoxy)-p-cymene-2-carboxylateDTXSID20200060RefChem:367640DTXCID20122551methyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(propan-2-yl)benzoate3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid methyl esterBenzoic acid, 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(1-methylethyl)-, methyl ester

Database identifiers

CAS: 52073-22-0
PubChem CID: 40211
DTXSID: DTXSID20200060
Nikkaji: J85.298H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 20
Formal charge: 0
Complexity: 304

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