N,N'-(Heptane-1,7-diyl)bis(4-tert-butylbenzamide)
Basic information
- CAS
6375-71-9- Standard SMILES
CC(C)(C)c1ccc(C(=O)NCCCCCCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1- InChIKey
ANFZKQUYAJMOJY-UHFFFAOYSA-N- Molecular formula
- C29H42N2O2
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 450.32462859
Names & identifiers
- Preferred name
- N,N'-(Heptane-1,7-diyl)bis(4-tert-butylbenzamide)
- IUPAC
- 4-tert-butyl-N-[7-[(4-tert-butylbenzoyl)amino]heptyl]benzamide
- English name
- 3-amino-N,N,N-trimethylbenzenaminium chloride
- Molecular formula
- C9H15ClN2
- Molecular weight
- 186.6818
Names & synonyms
DTXSID00980272AKOS003886177N,N'-(Heptane-1,7-diyl)bis(4-tert-butylbenzamide)3-amino-N,N,N-trimethylbenzenaminium chloride
Database identifiers
- CAS
6375-71-9- PubChem CID
- 5204575
- DTXSID
DTXSID00980272
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 534
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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