Basic information
- Standard SMILES
COC(=O)C(Cc1ccccc1)NCCNC(=O)OC(C)(C)C- InChIKey
ZXPRHZRXMUDSPT-UHFFFAOYSA-N- Molecular formula
- C17H26N2O4
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-phenylpropanoate
- IUPAC
- methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-phenylpropanoate
Names & synonyms
SCHEMBL8497138
Database identifiers
- PubChem CID
- 19366288
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
Related reactions
2 records
Compound notes
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