Basic information
- CAS
101756-21-2- Standard SMILES
CCOC(=O)C(CC)(C(=O)NCCN1CCOCC1)c1ccccc1- InChIKey
MRMBRFVLYMUNLE-UHFFFAOYSA-N- Molecular formula
- C19H28N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.20490738
Names & identifiers
- Preferred name
- Malonamic acid, 2-ethyl-N-(2-morpholinoethyl)-2-phenyl-, ethyl ester
- IUPAC
- ethyl 2-(2-morpholin-4-ylethylcarbamoyl)-2-phenylbutanoate
- English name
- N-(2-Morpholinoethyl)phenylethylmalonamidic acid ethyl ester
- Molecular formula
- C19H28N2O4
- Molecular weight
- 348.44
Names & synonyms
BR 81101756-21-22-Ethyl-N-(2-morpholinoethyl)-2-phenyl-malonamic acid ethyl esterBRN 1089754MALONAMIC ACID, 2-ETHYL-N-(2-MORPHOLINOETHYL)-2-PHENYL-, ETHYL ESTERRefChem:351817ethyl 2-(2-morpholin-4-ylethylcarbamoyl)-2-phenylbutanoateSCHEMBL29439076DTXSID509065882-(Ethoxycarbonyl)-N-[2-(morpholin-4-yl)ethyl]-2-phenylbutanimidic acidBR-81N-(2-Morpholinoethyl)phenylethylmalonamidic acid ethyl ester
Database identifiers
- CAS
101756-21-2- PubChem CID
- 58838
- DTXSID
DTXSID50906588- Nikkaji
- J147.596G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 534.688 · 534.688±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.778 · 13.778±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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