Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CCC#N)CC(=O)NCCc1ccc2c(c1)OCO2- InChIKey
ASPZXKMQLZZJHM-UHFFFAOYSA-N- Molecular formula
- C19H25N3O5
- Average molar mass
- 375.4 g/mol
Names & identifiers
- Preferred name
- 2-[(2-cyanoethyl)(dimethylethoxycarbonyl)amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide
- IUPAC
- tert-butyl N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-N-(2-cyanoethyl)carbamate
Names & synonyms
SCHEMBL6296512ASPZXKMQLZZJHM-UHFFFAOYSA-N2-[(2-cyanoethyl)(dimethylethoxycarbonyl)amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide
Database identifiers
- PubChem CID
- 22487696
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Related reactions
12 records
Compound notes
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