Basic information
- Standard SMILES
CCOC(=O)CCCCCOc1cc(C)ccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1- InChIKey
JTHHWTVIRDMVSI-UHFFFAOYSA-N- Molecular formula
- C24H30N2O7
- Average molar mass
- 458.5 g/mol
Names & identifiers
- Preferred name
- 3-methoxy-4-nitro-N-[2-(5-ethoxycarbonylpent-1-yloxy)-4-methylphenyl]-N-methylbenzamide
- IUPAC
- ethyl 6-[2-[(3-methoxy-4-nitrobenzoyl)-methylamino]-5-methylphenoxy]hexanoate
Names & synonyms
SCHEMBL7338369JTHHWTVIRDMVSI-UHFFFAOYSA-N3-methoxy-4-nitro-N-[2-(5-ethoxycarbonylpent-1-yloxy)-4-methylphenyl]-N-methylbenzamide
Database identifiers
- PubChem CID
- 22010771
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 639
Related reactions
2 records
Compound notes
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