Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 2-(diethylamino)ethyl ester

HCID 40209

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Basic information

CAS: 52073-15-1
Standard SMILES: CCN(CC)CCOC(=O)COc1c(C(C)C)ccc(C)c1C(=O)OC
InChIKey: KLSLAJCPPHOEAM-UHFFFAOYSA-N
Molecular formula: C20H31NO5
Average molar mass: 365.5 g/mol
Monoisotopic mass: 365.22022309

Names & identifiers

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

Names & synonyms

BRN 277474352073-15-1Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 2-(diethylamino)ethyl esterDTXSID50200058p-Cymene-2-carboxylic acid, 3-(2-(diethylamino)ethoxycarbonylmethoxy)-, methyl esterRefChem:316283DTXCID50122549methyl 2-{2-[2-(diethylamino)ethoxy]-2-oxoethoxy}-6-methyl-3-(propan-2-yl)benzoateDB-310099(6-Isopropyl -2-methoxycarbonyl -3-methylphenoxy)acetic acid 2-(diethylamino)ethyl ester(6-Isopropyl-2-methoxycarbonyl-3-methylphenoxy)acetic acid 2-(diethylamino)ethyl esterBenzoic acid, 2-[2-[2-(diethylamino)ethoxy]-2-oxoethoxy]-6-methyl-3-(1-methylethyl)-, methyl ester

Database identifiers

CAS: 52073-15-1
PubChem CID: 40209
DTXSID: DTXSID50200058
Nikkaji: J86.224J

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 65.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 12
Heavy atoms: 26
Formal charge: 0
Complexity: 436

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