1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone

C18H27NO2 — CID 116749979

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(CC)cn2)CCCC(C)C1
InChIInChI=1S/C18H27NO2/c1-4-15-8-9-16(19-13-15)11-17(20)18(21-5-2)10-6-7-14(3)12-18/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyYLOIIFKANXOEFK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.74
Rot. Bonds6

About 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone

1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone (PubChem CID 116749979) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
PubChem CID116749979
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(CC)cn2)CCCC(C)C1
InChIInChI=1S/C18H27NO2/c1-4-15-8-9-16(19-13-15)11-17(20)18(21-5-2)10-6-7-14(3)12-18/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyYLOIIFKANXOEFK-UHFFFAOYSA-N
XLogP3.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone (CID 116749979) is 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone is CCOC1(C(=O)Cc2ccc(CC)cn2)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The InChIKey is YLOIIFKANXOEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-15-8-9-16(19-13-15)11-17(20)18(21-5-2)10-6-7-14(3)12-18/h8-9,13-14H,4-7,10-12H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone?
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 116749979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).