(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone

C15H22N2O3 — CID 116749812

IUPAC(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCCOC1(C(=O)c2nccnc2OC)CCCC(C)C1
InChIInChI=1S/C15H22N2O3/c1-4-20-15(7-5-6-11(2)10-15)13(18)12-14(19-3)17-9-8-16-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMOQYKOCDJMFCLH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.65
Rot. Bonds5

About (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone

(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 116749812) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID116749812
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCCOC1(C(=O)c2nccnc2OC)CCCC(C)C1
InChIInChI=1S/C15H22N2O3/c1-4-20-15(7-5-6-11(2)10-15)13(18)12-14(19-3)17-9-8-16-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMOQYKOCDJMFCLH-UHFFFAOYSA-N
XLogP2.65
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114642804
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 116749993
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
(2,5-dichlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749899
trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 100777074
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749804
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
1-adamantyl-(3-methoxypyrazin-2-yl)methanone
CID 104514904

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone (CID 116749812) is (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone is CCOC1(C(=O)c2nccnc2OC)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is MOQYKOCDJMFCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-20-15(7-5-6-11(2)10-15)13(18)12-14(19-3)17-9-8-16-12/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone?
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 116749812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).