3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one

C17H27NO3 — CID 116709812

IUPAC3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one
SMILESCCOC(C(=O)Cc1ncc(C)c(OC)c1C)C(C)(C)C
InChIInChI=1S/C17H27NO3/c1-8-21-16(17(4,5)6)14(19)9-13-12(3)15(20-7)11(2)10-18-13/h10,16H,8-9H2,1-7H3
InChIKeyQVORLTAUAUZQRL-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.27
Rot. Bonds6

About 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one

3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one (PubChem CID 116709812) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one
PubChem CID116709812
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one
SMILESCCOC(C(=O)Cc1ncc(C)c(OC)c1C)C(C)(C)C
InChIInChI=1S/C17H27NO3/c1-8-21-16(17(4,5)6)14(19)9-13-12(3)15(20-7)11(2)10-18-13/h10,16H,8-9H2,1-7H3
InChIKeyQVORLTAUAUZQRL-UHFFFAOYSA-N
XLogP3.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one with MolForge

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Related Compounds

3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 116594134
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one
CID 116557113
1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one
CID 116551277
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]butanoic acid
CID 105352765
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-3-methylbutanoic acid
CID 105353626
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine
CID 54891204
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
CID 115788139
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one?
The IUPAC name of 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one (CID 116709812) is 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one.
What is the SMILES notation for 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one?
The canonical SMILES for 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one is CCOC(C(=O)Cc1ncc(C)c(OC)c1C)C(C)(C)C.
What is the InChIKey of 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one?
The InChIKey is QVORLTAUAUZQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-8-21-16(17(4,5)6)14(19)9-13-12(3)15(20-7)11(2)10-18-13/h10,16H,8-9H2,1-7H3.
What are the key properties of 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one?
3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one has a molecular weight of 293.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one is sourced from PubChem (CID 116709812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).