Basic information
- CAS
94754-58-2- Standard SMILES
CCOC(=O)C(CC)(C(=O)NCCCN1CCCC1)c1ccccc1- InChIKey
BUHJJXPGTOKBQA-UHFFFAOYSA-N- Molecular formula
- C20H30N2O3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.22564282
Names & identifiers
- Preferred name
- Malonamic acid, 2-ethyl-2-phenyl-N-(3-(1-pyrrolidinyl)propyl)-, ethyl ester
- IUPAC
- ethyl 2-phenyl-2-(3-pyrrolidin-1-ylpropylcarbamoyl)butanoate
Names & synonyms
BR 89BRN 13542852-Ethyl-2-phenyl-N-(3-(1-pyrrolidinyl)propyl)malonamic acid ethyl ester94754-58-25-20-01-00417 (Beilstein Handbook Reference)MALONAMIC ACID, 2-ETHYL-2-PHENYL-N-(3-(1-PYRROLIDINYL)PROPYL)-, ETHYL ESTERRefChem:351814DTXSID809153252-(Ethoxycarbonyl)-2-phenyl-N-[3-(pyrrolidin-1-yl)propyl]butanimidic acid
Database identifiers
- CAS
94754-58-2- PubChem CID
- 56802
- DTXSID
DTXSID80915325- Nikkaji
- J147.601G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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