Basic information
- Standard SMILES
COC(=O)c1ccc(CN(CCc2ccccc2OCCCCCc2ccccc2)C(=O)OC(C)(C)C)cc1- InChIKey
QBCUYGKIXRAVPG-UHFFFAOYSA-N- Molecular formula
- C33H41NO5
- Average molar mass
- 531.7 g/mol
Names & identifiers
- Preferred name
- Methyl 4[((tert-butoxycarbonyl)[2-[(5-phenylpentyl)oxy]-phenethyl]amino)-methyl]benzoate
- IUPAC
- methyl 4-[[(2-methylpropan-2-yl)oxycarbonyl-[2-[2-(5-phenylpentoxy)phenyl]ethyl]amino]methyl]benzoate
Names & synonyms
Methyl 4[((tert-butoxycarbonyl)[2-[(5-phenylpentyl)oxy]-phenethyl]amino)-methyl]benzoateMethyl 4[((tert-butoxycarbonyl){2-[(5-phenylpentyl)oxy]-phenethyl}amino)-methyl]benzoateSCHEMBL2995101QBCUYGKIXRAVPG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22015039
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 705
Related reactions
2 records
Compound notes
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