Basic information
- Standard SMILES
CC1C2CCC3C4CC=C5CC(N(C)C(=O)OCc6ccccc6)CCC5(C)C4CCC32CN1C- InChIKey
USNQCJYMNLFXGZ-UHFFFAOYSA-N- Molecular formula
- C31H44N2O2
- Average molar mass
- 476.7 g/mol
- Monoisotopic mass
- 476.34027865
Names & identifiers
- Preferred name
- Methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-carbamic acid benzyl ester
- IUPAC
- benzyl N-methyl-N-(6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl)carbamate
Names & synonyms
SCHEMBL2480554USNQCJYMNLFXGZ-UHFFFAOYSA-NMethyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-carbamic acid benzyl ester
Database identifiers
- PubChem CID
- 67424121
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 849
Related reactions
2 records
Compound notes
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