N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide

C28H29NO2 — CID 143314196

IUPACN-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)C4CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C28H29NO2/c1-2-20-8-10-25(11-9-20)28(31)29-26-18-16-22(17-19-26)21-12-14-24(15-13-21)27(30)23-6-4-3-5-7-23/h8-19,23H,2-7H2,1H3,(H,29,31)
InChIKeyWXJNUCDAVTVXTK-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.93
Rot. Bonds6

About N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide

N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide (PubChem CID 143314196) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide
PubChem CID143314196
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC NameN-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)C4CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C28H29NO2/c1-2-20-8-10-25(11-9-20)28(31)29-26-18-16-22(17-19-26)21-12-14-24(15-13-21)27(30)23-6-4-3-5-7-23/h8-19,23H,2-7H2,1H3,(H,29,31)
InChIKeyWXJNUCDAVTVXTK-UHFFFAOYSA-N
XLogP6.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide
CID 53108614
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 53108619
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68967095
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide?
The IUPAC name of N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide (CID 143314196) is N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)C4CCCCC4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide?
The InChIKey is WXJNUCDAVTVXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO2/c1-2-20-8-10-25(11-9-20)28(31)29-26-18-16-22(17-19-26)21-12-14-24(15-13-21)27(30)23-6-4-3-5-7-23/h8-19,23H,2-7H2,1H3,(H,29,31).
What are the key properties of N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide?
N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide has a molecular weight of 411.55 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide is sourced from PubChem (CID 143314196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).