Basic information
- CAS
53206-91-0- Standard SMILES
CCN(CC)CCNC(=O)COc1c(C(C)C)ccc(C)c1C(=O)OC- InChIKey
DTRYRQSAXWHXNC-UHFFFAOYSA-N- Molecular formula
- C20H32N2O4
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.23620751
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-(diethylamino)ethylcarbamoylmethoxy)-, methyl ester
- IUPAC
- methyl 2-[2-[2-(diethylamino)ethylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Names & synonyms
BRN 277474453206-91-0p-Cymene-2-carboxylic acid, 3-(2-(diethylamino)ethylcarbamoylmethoxy)-, methyl ester6-Allyl-3-hydroxy-p-cymene-2-carboxylic acid5-Allyl-2-hydroxy-3-isopropyl-6-methylbenzoic acidDTXSID00201277Benzoic acid, 2-(2-(diethylamino)ethylcarbamoylmethoxy)-3-isopropyl-6-methyl-, methyl esterRefChem:367634DTXCID00123768Methyl 2-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethoxy)-6-methyl-3-(propan-2-yl)benzoate
Database identifiers
- CAS
53206-91-0- PubChem CID
- 40657
- DTXSID
DTXSID00201277
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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