4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide

C30H35NO — CID 138461387

IUPAC4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide
SMILESCCCCC1CCC(c2ccc(C(=O)Nc3ccc(-c4ccc(C)cc4)cc3)cc2)CC1
InChIInChI=1S/C30H35NO/c1-3-4-5-23-8-12-25(13-9-23)26-14-16-28(17-15-26)30(32)31-29-20-18-27(19-21-29)24-10-6-22(2)7-11-24/h6-7,10-11,14-21,23,25H,3-5,8-9,12-13H2,1-2H3,(H,31,32)
InChIKeyBOHDNZUQSLGYFI-UHFFFAOYSA-N
MW425.62 g/mol
LogP8.38
Rot. Bonds7

About 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide

4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide (PubChem CID 138461387) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide
PubChem CID138461387
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC Name4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide
SMILESCCCCC1CCC(c2ccc(C(=O)Nc3ccc(-c4ccc(C)cc4)cc3)cc2)CC1
InChIInChI=1S/C30H35NO/c1-3-4-5-23-8-12-25(13-9-23)26-14-16-28(17-15-26)30(32)31-29-20-18-27(19-21-29)24-10-6-22(2)7-11-24/h6-7,10-11,14-21,23,25H,3-5,8-9,12-13H2,1-2H3,(H,31,32)
InChIKeyBOHDNZUQSLGYFI-UHFFFAOYSA-N
XLogP8.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide
CID 67989976
1-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]pentane-1,3-dione
CID 20503085
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
CID 134245611
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
(4-methylphenyl) 4-(4-pentylcyclohexyl)benzoate
CID 23334784
1-[4-[4-(4-nonylcyclohexyl)phenyl]phenyl]pentane-1,3-dione
CID 20503090
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409
[4-(methylcarbamoyl)phenyl] 4-[4-(4-pentylcyclohexyl)phenyl]benzoate
CID 67687340
4-(4-butylcyclohexyl)-N-methylaniline
CID 21348956
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide?
The IUPAC name of 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide (CID 138461387) is 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide.
What is the SMILES notation for 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide?
The canonical SMILES for 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide is CCCCC1CCC(c2ccc(C(=O)Nc3ccc(-c4ccc(C)cc4)cc3)cc2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide?
The InChIKey is BOHDNZUQSLGYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO/c1-3-4-5-23-8-12-25(13-9-23)26-14-16-28(17-15-26)30(32)31-29-20-18-27(19-21-29)24-10-6-22(2)7-11-24/h6-7,10-11,14-21,23,25H,3-5,8-9,12-13H2,1-2H3,(H,31,32).
What are the key properties of 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide?
4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide has a molecular weight of 425.62 g/mol, XLogP of 8.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide is sourced from PubChem (CID 138461387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).