p-Cymene-2-carboxylic acid, 3-(3-(diethylamino)propylcarbamoylmethoxy)-, methyl ester

HCID 40658

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53206-92-1
Standard SMILES: CCN(CC)CCCNC(=O)COc1c(C(C)C)ccc(C)c1C(=O)OC
InChIKey: OWYSYUPPDPNMPG-UHFFFAOYSA-N
Molecular formula: C21H34N2O4
Average molar mass: 378.5 g/mol
Monoisotopic mass: 378.25185757

Names & identifiers

Preferred name: p-Cymene-2-carboxylic acid, 3-(3-(diethylamino)propylcarbamoylmethoxy)-, methyl ester
IUPAC: methyl 2-[2-[3-(diethylamino)propylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
English name: 3-[3-(Diethylamino)propylcarbamoylmethoxy]-p-cymene-2-carboxylic acid methyl ester
Molecular formula: C21H34N2O4
Molecular weight: 378.51

Names & synonyms

BRN 2778638p-Cymene-2-carboxylic acid, 3-(3-(diethylamino)propylcarbamoylmethoxy)-, methyl ester53206-92-1DTXSID60201278Methyl 3-(3-(diethylamino)propylcarbamoylmethoxy)-p-cymene-2-carboxylateRefChem:367659DTXCID60123769methyl 2-(2-{[3-(diethylamino)propyl]amino}-2-oxoethoxy)-6-methyl-3-(propan-2-yl)benzoate3-[3-(Diethylamino)propylcarbamoylmethoxy]-p-cymene-2-carboxylic acid methyl esterBenzoic acid, 2-[2-[[3-(diethylamino)propyl]amino]-2-oxoethoxy]-6-methyl-3-(1-methylethyl)-, methyl ester

Database identifiers

CAS: 53206-92-1
PubChem CID: 40658
DTXSID: DTXSID60201278
Nikkaji: J85.292I

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 12
Heavy atoms: 27
Formal charge: 0
Complexity: 451

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…