Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 2-morpholinoethyl ester
Basic information
- CAS
52073-17-3- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCC(=O)OCCN1CCOCC1- InChIKey
ISJYJYCUFQBHMN-UHFFFAOYSA-N- Molecular formula
- C20H29NO6
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.19948764
Names & identifiers
- Preferred name
- Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 2-morpholinoethyl ester
- IUPAC
- methyl 6-methyl-2-[2-(2-morpholin-4-ylethoxy)-2-oxoethoxy]-3-propan-2-ylbenzoate
- English name
- (6-Isopropyl-2-methoxycarbonyl-3-methylphenoxy)acetic acid 2-morpholinoethyl ester
- Molecular formula
- C20H29NO6
- Molecular weight
- 379.45
Names & synonyms
52073-17-3Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 2-morpholinoethyl esterDTXSID10200059p-Cymene-2-carboxylic acid, 3-(2-(morpholino)ethoxycarbonylmethoxy)-, methyl esterRefChem:316285DTXCID60122550methyl 6-methyl-2-{2-[2-(morpholin-4-yl)ethoxy]-2-oxoethoxy}-3-(propan-2-yl)benzoateDB-290053(6-Isopropyl -2-methoxycarbonyl -3-methylphenoxy)acetic acid 2-morpholinoethyl ester(6-Isopropyl-2-methoxycarbonyl-3-methylphenoxy)acetic acid 2-morpholinoethyl esterBenzoic acid, 6-methyl-3-(1-methylethyl)-2-[2-[2-(4-morpholinyl)ethoxy]-2-oxoethoxy]-, methyl ester
Database identifiers
- CAS
52073-17-3- PubChem CID
- 40210
- DTXSID
DTXSID10200059- Nikkaji
- J86.228B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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