Basic information
- CAS
303134-12-5- Standard SMILES
Cc1ccccc1NC(=O)CCC(=O)OC1CCC(C(C)(C)C)CC1- InChIKey
CPCAVNVVWOHDKW-UHFFFAOYSA-N- Molecular formula
- C21H31NO3
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.23039385
Names & identifiers
- Preferred name
- 4-Tert-butylcyclohexyl 4-[(2-methylphenyl)amino]-4-oxobutanoate
- IUPAC
- (4-tert-butylcyclohexyl) 4-(2-methylanilino)-4-oxobutanoate
Names & synonyms
4-tert-butylcyclohexyl 4-[(2-methylphenyl)amino]-4-oxobutanoate4-(tert-butyl)cyclohexyl 3-[N-(2-methylphenyl)carbamoyl]propanoateTimTec1_000885Oprea1_778314CBDivE_000519DTXSID601148988HMS1536I05STK386928AKOS005431173303134-12-5ST009167ST50926301
Show more names
BRD-K73478104-001-01-84-tert-Butylcyclohexyl 4-(2-methylanilino)-4-oxobutanoate4-(1,1-Dimethylethyl)cyclohexyl 4-[(2-methylphenyl)amino]-4-oxobutanoate
Database identifiers
- CAS
303134-12-5- PubChem CID
- 690643
- DTXSID
DTXSID601148988
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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