N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide

C23H30N2O2 — CID 100770743

IUPACN-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cn1
InChIInChI=1S/C23H30N2O2/c1-3-4-15-27-21-12-11-20(17-24-21)25-22(26)23(13-6-5-7-14-23)19-10-8-9-18(2)16-19/h8-12,16-17H,3-7,13-15H2,1-2H3,(H,25,26)
InChIKeyOXENGIYCRLSXPE-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.41
Rot. Bonds7

About N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide

N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100770743) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100770743
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cn1
InChIInChI=1S/C23H30N2O2/c1-3-4-15-27-21-12-11-20(17-24-21)25-22(26)23(13-6-5-7-14-23)19-10-8-9-18(2)16-19/h8-12,16-17H,3-7,13-15H2,1-2H3,(H,25,26)
InChIKeyOXENGIYCRLSXPE-UHFFFAOYSA-N
XLogP5.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-butoxy-5-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100769468
N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661062
N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
CID 100775055
1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771541
N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 100769199
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821
N-(4-butoxy-2-cyanophenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745418
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770764
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
CID 100781335
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100770358

Frequently Asked Questions

What is the IUPAC name of N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide (CID 100770743) is N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cn1.
What is the InChIKey of N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is OXENGIYCRLSXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-4-15-27-21-12-11-20(17-24-21)25-22(26)23(13-6-5-7-14-23)19-10-8-9-18(2)16-19/h8-12,16-17H,3-7,13-15H2,1-2H3,(H,25,26).
What are the key properties of N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100770743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).