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

C18H28N2O3 — CID 100776979

IUPAC1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c(C)n1
InChIInChI=1S/C18H28N2O3/c1-4-13-22-16-10-9-15(14(3)19-16)20-17(21)18(23-5-2)11-7-6-8-12-18/h9-10H,4-8,11-13H2,1-3H3,(H,20,21)
InChIKeyJVRBSXURXLAIAQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.86
Rot. Bonds7

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

1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 100776979) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID100776979
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c(C)n1
InChIInChI=1S/C18H28N2O3/c1-4-13-22-16-10-9-15(14(3)19-16)20-17(21)18(23-5-2)11-7-6-8-12-18/h9-10H,4-8,11-13H2,1-3H3,(H,20,21)
InChIKeyJVRBSXURXLAIAQ-UHFFFAOYSA-N
XLogP3.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100776904
1-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100777348
N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
CID 100775270
N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205967
1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771052
N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205969
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-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776998
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770764
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
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 1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (CID 100776979) is 1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c(C)n1.
What is the InChIKey of 1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is JVRBSXURXLAIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-13-22-16-10-9-15(14(3)19-16)20-17(21)18(23-5-2)11-7-6-8-12-18/h9-10H,4-8,11-13H2,1-3H3,(H,20,21).
What are the key properties of 1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100776979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).