N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide

C22H28N2O2 — CID 100770764

IUPACN-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1
InChIInChI=1S/C22H28N2O2/c1-4-26-20-12-11-19(17(3)23-20)24-21(25)22(13-6-5-7-14-22)18-10-8-9-16(2)15-18/h8-12,15H,4-7,13-14H2,1-3H3,(H,24,25)
InChIKeyAOMTWPZRQQHJQO-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.94
Rot. Bonds5

About N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide

N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100770764) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100770764
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1
InChIInChI=1S/C22H28N2O2/c1-4-26-20-12-11-19(17(3)23-20)24-21(25)22(13-6-5-7-14-22)18-10-8-9-16(2)15-18/h8-12,15H,4-7,13-14H2,1-3H3,(H,24,25)
InChIKeyAOMTWPZRQQHJQO-UHFFFAOYSA-N
XLogP4.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770758
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100770896
1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100720091
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770743
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821
1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771052
N-(4-butoxy-2-cyanophenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745418
1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770113
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771719
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771590

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide (CID 100770764) is N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide is CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1.
What is the InChIKey of N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is AOMTWPZRQQHJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-26-20-12-11-19(17(3)23-20)24-21(25)22(13-6-5-7-14-22)18-10-8-9-16(2)15-18/h8-12,15H,4-7,13-14H2,1-3H3,(H,24,25).
What are the key properties of N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100770764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).