Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CC1CC1)[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1- InChIKey
FMDSKOKZEISCKU-WUFINQPMSA-N- Molecular formula
- C32H35N3O4
- Average molar mass
- 525.6 g/mol
- Monoisotopic mass
- 525.26275661
Names & identifiers
- Preferred name
- Tert-butyl [trans-2-(4-{[4-(benzoylamino)benzoyl]amino}-phenyl)cyclopropyl](cyclopropylmethyl)carbamate
- IUPAC
- tert-butyl N-[(1R,2S)-2-[4-[(4-benzamidobenzoyl)amino]phenyl]cyclopropyl]-N-(cyclopropylmethyl)carbamate
Names & synonyms
FMDSKOKZEISCKU-WUFINQPMSA-Ntert-butyl [trans-2-(4-{[4-(benzoylamino)benzoyl]amino}-phenyl)cyclopropyl](cyclopropylmethyl)carbamatetert-Butyl [trans-2-(4-{[4-(benzoylamino)benzoyl]amino}phenyl)cyclopropyl]-(cyclopropylmethyl)carbamate
Database identifiers
- PubChem CID
- 86729909
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 859
Related reactions
2 records
Compound notes
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