4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide

C26H32N2O — CID 174171949

IUPAC4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide
SMILESCc1cc(CC2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1C#N
InChIInChI=1S/C26H32N2O/c1-18-15-20(5-8-22(18)17-27)16-19-6-13-24(14-7-19)28-25(29)21-9-11-23(12-10-21)26(2,3)4/h5,8-12,15,19,24H,6-7,13-14,16H2,1-4H3,(H,28,29)
InChIKeyKWALWEBGZPMRML-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.70
Rot. Bonds4

About 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide

4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide (PubChem CID 174171949) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide
PubChem CID174171949
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide
SMILESCc1cc(CC2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1C#N
InChIInChI=1S/C26H32N2O/c1-18-15-20(5-8-22(18)17-27)16-19-6-13-24(14-7-19)28-25(29)21-9-11-23(12-10-21)26(2,3)4/h5,8-12,15,19,24H,6-7,13-14,16H2,1-4H3,(H,28,29)
InChIKeyKWALWEBGZPMRML-UHFFFAOYSA-N
XLogP5.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide
CID 176985927
4-[(1-acetylpiperidin-4-yl)methyl]-N-cyclopropylbenzamide
CID 110198053
N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide
CID 163495401
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926303
2-chloro-4-[[4-(methylamino)cyclohexyl]methyl]benzonitrile
CID 163995669
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 60530745
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide
CID 115270262
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide (CID 174171949) is 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide is Cc1cc(CC2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1C#N.
What is the InChIKey of 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide?
The InChIKey is KWALWEBGZPMRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-18-15-20(5-8-22(18)17-27)16-19-6-13-24(14-7-19)28-25(29)21-9-11-23(12-10-21)26(2,3)4/h5,8-12,15,19,24H,6-7,13-14,16H2,1-4H3,(H,28,29).
What are the key properties of 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide?
4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide has a molecular weight of 388.56 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide is sourced from PubChem (CID 174171949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).