(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone

C17H25NO3 — CID 116750301

IUPAC(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
SMILESCCOc1cncc(C(=O)C2(OC)CCC(C)(C)CC2)c1
InChIInChI=1S/C17H25NO3/c1-5-21-14-10-13(11-18-12-14)15(19)17(20-4)8-6-16(2,3)7-9-17/h10-12H,5-9H2,1-4H3
InChIKeyYGZTVUOCRMPKHX-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.65
Rot. Bonds5

About (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone

(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone (PubChem CID 116750301) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
PubChem CID116750301
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
SMILESCCOc1cncc(C(=O)C2(OC)CCC(C)(C)CC2)c1
InChIInChI=1S/C17H25NO3/c1-5-21-14-10-13(11-18-12-14)15(19)17(20-4)8-6-16(2,3)7-9-17/h10-12H,5-9H2,1-4H3
InChIKeyYGZTVUOCRMPKHX-UHFFFAOYSA-N
XLogP3.65
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
CID 116607379
(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
CID 116568171
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 107187365
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
CID 116576579

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The IUPAC name of (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone (CID 116750301) is (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone is CCOc1cncc(C(=O)C2(OC)CCC(C)(C)CC2)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The InChIKey is YGZTVUOCRMPKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-21-14-10-13(11-18-12-14)15(19)17(20-4)8-6-16(2,3)7-9-17/h10-12H,5-9H2,1-4H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone has a molecular weight of 291.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 116750301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).