Ethyl 3-{[(2-chloroethyl)carbamoyl]amino}-3-phenylpropanoate
Basic information
- CAS
210161-76-5- Standard SMILES
CCOC(=O)CC(NC(=O)NCCCl)c1ccccc1- InChIKey
ITPYUHKBZZTURR-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O3
- Average molar mass
- 298.76 g/mol
- Monoisotopic mass
- 298.1084202
Names & identifiers
- Preferred name
- Ethyl 3-{[(2-chloroethyl)carbamoyl]amino}-3-phenylpropanoate
- IUPAC
- ethyl 3-(2-chloroethylcarbamoylamino)-3-phenylpropanoate
Names & synonyms
DTXSID201172486210161-76-5Ethyl 3-{[(2-chloroethyl)carbamoyl]amino}-3-phenylpropanoateEthyl I(2)-[[[(2-chloroethyl)amino]carbonyl]amino]benzenepropanoate
Database identifiers
- CAS
210161-76-5- PubChem CID
- 15324232
- DTXSID
DTXSID201172486
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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