2-Methyl-N-(2-((2-methylbenzoyl)amino)cyclohexyl)benzamide
Basic information
- CAS
431940-78-2- Standard SMILES
Cc1ccccc1C(=O)NC1CCCCC1NC(=O)c1ccccc1C- InChIKey
QTIFJJFTXBEGFX-UHFFFAOYSA-N- Molecular formula
- C22H26N2O2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.19942808
Names & identifiers
- Preferred name
- 2-Methyl-N-(2-((2-methylbenzoyl)amino)cyclohexyl)benzamide
- IUPAC
- 2-methyl-N-[2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
- English name
- N,N'-1,2-cyclohexanediylbis(2-methylbenzamide)
- Molecular formula
- C22H26N2O2
- Molecular weight
- 350.45
Names & synonyms
2-methyl-N-[2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide2-METHYL-N-(2-((2-METHYLBENZOYL)AMINO)CYCLOHEXYL)BENZAMIDE2-methyl-N-{2-[(2-methylbenzoyl)amino]cyclohexyl}benzamideN,N'-1,2-cyclohexanediylbis(2-methylbenzamide)Oprea1_082924Oprea1_833392MFCD02819040STK027516AKOS000490064AKOS016352118ST054411ZINC000000623244
Show more names
Benzamide, N,N'-1,2-cyclohexanediylbis[2-methyl-
ZINC000012463033O=C(c1ccccc1C)NC1CCCCC1NC(=O)c1ccccc1CNNCYCLOHEXANE12DIYLBIS(2METHYLBENZAMIDE)AB00118640-01AN-329/40826195CC1=CC=CC=C1C(=O)NC2CCCCC2NC(=O)C3=CC=CC=C3C2METHYLN(2((2METHYLBENZOYL)AMINO)CYCLOHEXYL)BENZAMIDE(2-methylphenyl)-N-{2-[(2-methylphenyl)carbonylamino]cyclohexyl}carboxamide
Database identifiers
- CAS
431940-78-2- PubChem CID
- 2913389
- EC Number
- 121-717-6
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 568.9 · 568.9±50.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 13.67 · 13.67±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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