Basic information
- CAS
53206-87-4- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCC(=O)OCCCN(C)C- InChIKey
QGHFKHLAYNXMED-UHFFFAOYSA-N- Molecular formula
- C19H29NO5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.20457303
Names & identifiers
- Preferred name
- Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 3-(dimethylamino)propyl ester
- IUPAC
- methyl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- (6-Isopropyl-2-methoxycarbonyl-3-methylphenoxy)acetic acid 3-(dimethylamino)propyl ester
- Molecular formula
- C19H29NO5
- Molecular weight
- 351.44
Names & synonyms
BRN 277360153206-87-4Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 3-(dimethylamino)propyl esterDTXSID60201273p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxycarbonylmethoxy)-, methyl esterRefChem:316287DTXCID60123764(6-Isopropyl-2-methoxycarbonyl-3-methylphenoxy)acetic acid 3-(dimethylamino)propyl estermethyl 2-{2-[3-(dimethylamino)propoxy]-2-oxoethoxy}-6-methyl-3-(propan-2-yl)benzoateDB-299919Benzoic acid, 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
53206-87-4- PubChem CID
- 40653
- DTXSID
DTXSID60201273- Nikkaji
- J86.227D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…