Acetic acid, (2-ethoxycarbonyl-6-isopropyl-3-methyl)phenoxy-, 3-(dimethylamino)propyl ester
Basic information
- CAS
53251-82-4- Standard SMILES
CCOC(=O)c1c(C)ccc(C(C)C)c1OCC(=O)OCCCN(C)C- InChIKey
RKBPFDSABQZWQQ-UHFFFAOYSA-N- Molecular formula
- C20H31NO5
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.22022309
Names & identifiers
- Preferred name
- Acetic acid, (2-ethoxycarbonyl-6-isopropyl-3-methyl)phenoxy-, 3-(dimethylamino)propyl ester
- IUPAC
- ethyl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-Isopropyl-6-methyl-2-(3-dimethylaminopropyloxycarbonylmethoxy)benzoic acid ethyl ester
- Molecular formula
- C20H31NO5
- Molecular weight
- 365.46
Names & synonyms
BRN 277471053251-82-4Acetic acid, (2-ethoxycarbonyl-6-isopropyl-3-methyl)phenoxy-, 3-(dimethylamino)propyl esterDTXSID90201367p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxycarbonylmethoxy)-, ethyl esterRefChem:316162DTXCID901238583-Isopropyl-6-methyl-2-(3-dimethylaminopropyloxycarbonylmethoxy)benzoic acid ethyl esterethyl 2-{2-[3-(dimethylamino)propoxy]-2-oxoethoxy}-6-methyl-3-(propan-2-yl)benzoateDB-324581Benzoic acid, 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-(1-methylethyl)-, ethyl ester
Database identifiers
- CAS
53251-82-4- PubChem CID
- 40695
- DTXSID
DTXSID90201367- Nikkaji
- J86.190A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…