Basic information
- CAS
96064-47-0- Standard SMILES
CCOC(=O)C(CC)(C(=O)NCCCN1CCCCC1)c1ccccc1- InChIKey
MIDYJGWCFUCIHA-UHFFFAOYSA-N- Molecular formula
- C21H32N2O3
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.24129289
Names & identifiers
- Preferred name
- Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester
- IUPAC
- ethyl 2-phenyl-2-(3-piperidin-1-ylpropylcarbamoyl)butanoate
Names & synonyms
BR 90BRN 13546252-Ethyl-2-phenyl-N-(3-piperidinopropyl)malonamic acid ethyl ester96064-47-05-20-03-00175 (Beilstein Handbook Reference)MALONAMIC ACID, 2-ETHYL-2-PHENYL-N-(3-PIPERIDINOPROPYL)-, ETHYL ESTERRefChem:351815SCHEMBL29450585DTXSID209146752-(Ethoxycarbonyl)-2-phenyl-N-[3-(piperidin-1-yl)propyl]butanimidic acid
Database identifiers
- CAS
96064-47-0- PubChem CID
- 57009
- DTXSID
DTXSID20914675- Nikkaji
- J147.599A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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