(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone

C15H21NO4 — CID 116748926

IUPAC(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)C2(OCC)CCOCC2)c1
InChIInChI=1S/C15H21NO4/c1-3-19-13-9-12(10-16-11-13)14(17)15(20-4-2)5-7-18-8-6-15/h9-11H,3-8H2,1-2H3
InChIKeyDBBICLXTMOZYBW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.25
Rot. Bonds6

About (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone

(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone (PubChem CID 116748926) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
PubChem CID116748926
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)C2(OCC)CCOCC2)c1
InChIInChI=1S/C15H21NO4/c1-3-19-13-9-12(10-16-11-13)14(17)15(20-4-2)5-7-18-8-6-15/h9-11H,3-8H2,1-2H3
InChIKeyDBBICLXTMOZYBW-UHFFFAOYSA-N
XLogP2.25
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)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-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750301
(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
CID 116748823
(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
CID 116568171
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 116748235
(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
CID 116748889
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
CID 116607379
1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
CID 116595835

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone?
The IUPAC name of (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone (CID 116748926) is (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone is CCOc1cncc(C(=O)C2(OCC)CCOCC2)c1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone?
The InChIKey is DBBICLXTMOZYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-19-13-9-12(10-16-11-13)14(17)15(20-4-2)5-7-18-8-6-15/h9-11H,3-8H2,1-2H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone?
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone has a molecular weight of 279.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116748926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).