Basic information
- Standard SMILES
CCCCOC(=O)c1ccc2c(c1)CCC2N(C(=O)Cc1ccc(C(C)C)cc1)C1CCC(C(C)(C)C)CC1- InChIKey
YFCLZIUODZRAPG-UHFFFAOYSA-N- Molecular formula
- C35H49NO3
- Average molar mass
- 531.8 g/mol
Names & identifiers
- Preferred name
- Butyl 1-{(trans-4-tert-butylcyclohexyl)[(4-isopropylphenyl)acetyl]amino}indane-5-carboxylate
- IUPAC
- butyl 1-[(4-tert-butylcyclohexyl)-[2-(4-propan-2-ylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
Names & synonyms
SCHEMBL2881726SCHEMBL2881727YFCLZIUODZRAPG-LNCMTAGSSA-Nbutyl 1-{(trans-4-tert-butylcyclohexyl)[(4-isopropylphenyl)acetyl]amino}indane-5-carboxylate
Database identifiers
- PubChem CID
- 68426730
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 784
Related reactions
2 records
Compound notes
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