Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride
Basic information
- CAS
78329-87-0- Standard SMILES
CCCC[NH2+]CC(=O)N(CCCC)c1ccc(C(=O)OCCCC)cc1.[Cl-]- InChIKey
PMGFSDBWIONHAB-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride
- IUPAC
- [2-(4-butoxycarbonyl-N-butylanilino)-2-oxoethyl]-butylazanium chloride
Names & synonyms
78329-87-0C 3192BENZOIC ACID, p-(N-BUTYL-2-(BUTYLAMINO)ACETAMIDO)-, BUTYL ESTER, HYDROCHLORIDEp-(N-Butyl-2-(butylamino)acetamido)benzoic acid, butyl ester hydrrochlorideRefChem:327852N-(2-{[4-(Butoxycarbonyl)phenyl](butyl)amino}-2-oxoethyl)-1-butanaminium chloride
Database identifiers
- CAS
78329-87-0- PubChem CID
- 54176
Properties
Computed structural properties
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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