Basic information
- Standard SMILES
CC(=O)c1cccn1NC(=O)CNC(=O)OCc1ccccc1- InChIKey
HNVZAIQAGWDCRH-UHFFFAOYSA-N- Molecular formula
- C16H17N3O4
- Average molar mass
- 315.32 g/mol
Names & identifiers
- Preferred name
- Phenylmethyl-[2-[(2-acetyl-1H-pyrrol-1-yl)amino]-2-oxoethyl]carbamate
- IUPAC
- benzyl N-[2-[(2-acetylpyrrol-1-yl)amino]-2-oxoethyl]carbamate
Names & synonyms
HNVZAIQAGWDCRH-UHFFFAOYSA-NPhenylmethyl-[2-[(2-acetyl-1H-pyrrol-1-yl)amino]-2-oxoethyl]carbamate
Database identifiers
- PubChem CID
- 19973180
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
5 records
Compound notes
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