Basic information
- CAS
53206-90-9- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCC(=O)NCCN(C)C- InChIKey
PDOLRXVBUWVQQX-UHFFFAOYSA-N- Molecular formula
- C18H28N2O4
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.20490738
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethylcarbamoylmethoxy)-, methyl ester
- IUPAC
- methyl 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-[2-(Dimethylamino)ethylcarbamoylmethoxy]-p-cymene-2-carboxylic acid methyl ester
- Molecular formula
- C18H28N2O4
- Molecular weight
- 336.43
Names & synonyms
BRN 276965653206-90-9p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethylcarbamoylmethoxy)-, methyl esterDTXSID40201276Benzoic acid, 2-(2-(dimethylamino)ethylcarbamoylmethoxy)-3-isopropyl-6-methyl-,methyl esterRefChem:367642DTXCID40123767methyl 2-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethoxy)-6-methyl-3-(propan-2-yl)benzoate3-[2-(Dimethylamino)ethylcarbamoylmethoxy]-p-cymene-2-carboxylic acid methyl esterBenzoic acid, 2-[2-[[2-(dimethylamino)ethyl]amino]-2-oxoethoxy]-6-methyl-3-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
53206-90-9- PubChem CID
- 40656
- DTXSID
DTXSID40201276- Nikkaji
- J85.300C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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