Basic information
- CAS
3095-40-7- Standard SMILES
CCCOC(=O)c1cc(C)c(NC(=O)CNC2CCCCC2)c(C)c1- InChIKey
QFXWDDQXKGACFE-UHFFFAOYSA-N- Molecular formula
- C20H30N2O3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.22564282
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester
- IUPAC
- propyl 4-[[2-(cyclohexylamino)acetyl]amino]-3,5-dimethylbenzoate
Names & synonyms
BRN 2396651BENZOIC ACID, 4-(2-(CYCLOHEXYLAMINO)ACETAMIDO)-3,5-DIMETHYL-, PROPYL ESTER3095-40-7DTXSID301849234-(2-(Cyclohexylamino)acetamido)-3,5-dimethylbenzoic acid propyl esterRefChem:327403DTXCID70107414propyl 4-[(N-cyclohexylglycyl)amino]-3,5-dimethylbenzoate
Database identifiers
- CAS
3095-40-7- PubChem CID
- 18347
- DTXSID
DTXSID30184923
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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