(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone

C16H23NO3 — CID 116749881

IUPAC(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCCOC1(C(=O)c2cncc(OC)c2)CCCC(C)C1
InChIInChI=1S/C16H23NO3/c1-4-20-16(7-5-6-12(2)9-16)15(18)13-8-14(19-3)11-17-10-13/h8,10-12H,4-7,9H2,1-3H3
InChIKeyKDOSZDKYQRUETO-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.26
Rot. Bonds5

About (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone

(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone (PubChem CID 116749881) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
PubChem CID116749881
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCCOC1(C(=O)c2cncc(OC)c2)CCCC(C)C1
InChIInChI=1S/C16H23NO3/c1-4-20-16(7-5-6-12(2)9-16)15(18)13-8-14(19-3)11-17-10-13/h8,10-12H,4-7,9H2,1-3H3
InChIKeyKDOSZDKYQRUETO-UHFFFAOYSA-N
XLogP3.26
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 116749993
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
CID 116749812
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114642804
(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 116748235
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(2,5-dichlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749899
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979
(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750301

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone (CID 116749881) is (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone is CCOC1(C(=O)c2cncc(OC)c2)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is KDOSZDKYQRUETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-20-16(7-5-6-12(2)9-16)15(18)13-8-14(19-3)11-17-10-13/h8,10-12H,4-7,9H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone?
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 277.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116749881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).