N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide

C26H33NO2 — CID 100672600

IUPACN-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OC4CCCC4)c(C)c3)CCCCC2)cc1
InChIInChI=1S/C26H33NO2/c1-19-10-12-21(13-11-19)26(16-6-3-7-17-26)25(28)27-22-14-15-24(20(2)18-22)29-23-8-4-5-9-23/h10-15,18,23H,3-9,16-17H2,1-2H3,(H,27,28)
InChIKeyVRJXZRFLFQVXMZ-UHFFFAOYSA-N
MW391.56 g/mol
LogP6.47
Rot. Bonds5

About N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide

N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100672600) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100672600
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC NameN-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OC4CCCC4)c(C)c3)CCCCC2)cc1
InChIInChI=1S/C26H33NO2/c1-19-10-12-21(13-11-19)26(16-6-3-7-17-26)25(28)27-22-14-15-24(20(2)18-22)29-23-8-4-5-9-23/h10-15,18,23H,3-9,16-17H2,1-2H3,(H,27,28)
InChIKeyVRJXZRFLFQVXMZ-UHFFFAOYSA-N
XLogP6.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
CID 100685863
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705112
1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide
CID 100666997
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672829
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100674556

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide (CID 100672600) is N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(C2(C(=O)Nc3ccc(OC4CCCC4)c(C)c3)CCCCC2)cc1.
What is the InChIKey of N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is VRJXZRFLFQVXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2/c1-19-10-12-21(13-11-19)26(16-6-3-7-17-26)25(28)27-22-14-15-24(20(2)18-22)29-23-8-4-5-9-23/h10-15,18,23H,3-9,16-17H2,1-2H3,(H,27,28).
What are the key properties of N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide?
N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100672600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).