N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide

C21H25NO — CID 90397286

IUPACN-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H25NO/c1-15-3-5-17(6-4-15)18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-16(2)23/h7-15,17H,3-6H2,1-2H3,(H,22,23)
InChIKeyCTZXDMXDFUDYAW-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.61
Rot. Bonds3

About N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide

N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide (PubChem CID 90397286) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide
PubChem CID90397286
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H25NO/c1-15-3-5-17(6-4-15)18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-16(2)23/h7-15,17H,3-6H2,1-2H3,(H,22,23)
InChIKeyCTZXDMXDFUDYAW-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
4-(4-methylcyclohexyl)benzoic acid
CID 56632428
N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
CID 134245611
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)
CID 18720903
N-(4-phenylphenyl)acetamide
CID 19998
N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide
CID 826163
(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide
CID 175615486
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide (CID 90397286) is N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide?
The InChIKey is CTZXDMXDFUDYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-15-3-5-17(6-4-15)18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-16(2)23/h7-15,17H,3-6H2,1-2H3,(H,22,23).
What are the key properties of N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide?
N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 90397286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).