Basic information
- CAS
53206-86-3- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCC(=O)OC(C)CN(C)C- InChIKey
GUYKUDVQANANFT-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)-, (2-dimethylamino-1-methylethyl) ester
- IUPAC
- methyl 2-[2-[1-(dimethylamino)propan-2-yloxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- (6-Isopropyl-2-methoxycarbonyl-3-methylphenoxy)acetic acid 2-dimethylamino-1-methylethyl ester
- Molecular formula
- C19H29NO5
- Molecular weight
- 351.44
Names & synonyms
BRN 277359053206-86-3Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, (2-dimethylamino-1-methylethyl) esterp-Cymene-2-carboxylic acid, 3-(2-dimethylamino-1-methyl)ethoxycarbonylmethoxy-, methyl esterRefChem:316282DTXSID20967722(6-Isopropyl-2-methoxycarbonyl-3-methylphenoxy)acetic acid 2-dimethylamino-1-methylethyl estermethyl 2-(2-{[1-(dimethylamino)propan-2-yl]oxy}-2-oxoethoxy)-6-methyl-3-(propan-2-yl)benzoateDB-299918Benzoic acid, 2-[2-[2-(dimethylamino)-1-methylethoxy]-2-oxoethoxy]-6-methyl-3-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
53206-86-3- PubChem CID
- 40652
- DTXSID
DTXSID20967722- Nikkaji
- J86.226F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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