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

HCID 40640

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Basic information

CAS: 53206-73-8
Standard SMILES: Cc1ccc(C(C)C)c(OCCN(C)C)c1C(=O)OC(C)C
InChIKey: QYYJLBGFIYZBTC-UHFFFAOYSA-N
Molecular formula: C18H29NO3
Average molar mass: 307.4 g/mol
Monoisotopic mass: 307.21474379

Names & identifiers

Preferred name: p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, isopropyl ester
IUPAC: propan-2-yl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
English name: 3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid isopropyl ester
Molecular formula: C18H29NO3
Molecular weight: 307.43

Names & synonyms

BRN 2743669p-CYMENE-2-CARBOXYLIC ACID, 3-(2-(DIMETHYLAMINO)ETHOXY)-, ISOPROPYL ESTER53206-73-8Isopropyl 3-(2-(dimethylamino)ethoxy)-p-cymene-2-carboxylateDTXSID50201267RefChem:367639DTXCID50123758propan-2-yl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(propan-2-yl)benzoate3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid isopropyl esterBenzoic acid, 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(1-methylethyl)-, 1-methylethyl ester

Database identifiers

CAS: 53206-73-8
PubChem CID: 40640
DTXSID: DTXSID50201267
Nikkaji: J85.297J

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 341

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