Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 2-(dimethylamino)ethyl ester

HCID 40643

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Basic information

CAS: 53206-76-1
Standard SMILES: Cc1ccc(C(C)C)c(OCC(=O)OCCN(C)C)c1C(=O)OC(C)C
InChIKey: IDEGKAZYUMJHRM-UHFFFAOYSA-N
Molecular formula: C20H31NO5
Average molar mass: 365.5 g/mol
Monoisotopic mass: 365.22022309

Names & identifiers

Preferred name: Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 2-(dimethylamino)ethyl ester
IUPAC: propan-2-yl 2-[2-[2-(dimethylamino)ethoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
English name: (2-Isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)acetic acid 2-(dimethylamino)ethyl ester
Molecular formula: C20H31NO5
Molecular weight: 365.46

Names & synonyms

BRN 277265853206-76-1Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 2-(dimethylamino)ethyl esterDTXSID80201270p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxycarbonylmethoxy)-, isopropyl esterRefChem:316165DTXCID80123761(2-Isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)acetic acid 2-(dimethylamino)ethyl esterpropan-2-yl 2-{2-[2-(dimethylamino)ethoxy]-2-oxoethoxy}-6-methyl-3-(propan-2-yl)benzoateDB-299571Benzoic acid, 2-[2-[2-(dimethylamino)ethoxy]-2-oxoethoxy]-6-methyl-3-(1-methylethyl)-, 1-methylethyl ester

Database identifiers

CAS: 53206-76-1
PubChem CID: 40643
DTXSID: DTXSID80201270
Nikkaji: J86.219C

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 65.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 26
Formal charge: 0
Complexity: 449

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