ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate

C16H29NO3 — CID 102507635

IUPACethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCCCN1C(C)=C(C(=O)OCC)CC(C)C1OCC
InChIInChI=1S/C16H29NO3/c1-6-9-10-17-13(5)14(16(18)20-8-3)11-12(4)15(17)19-7-2/h12,15H,6-11H2,1-5H3
InChIKeyQOHOTRYICSDQRK-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.33
Rot. Bonds7

About ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate

ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate (PubChem CID 102507635) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate
PubChem CID102507635
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCCCN1C(C)=C(C(=O)OCC)CC(C)C1OCC
InChIInChI=1S/C16H29NO3/c1-6-9-10-17-13(5)14(16(18)20-8-3)11-12(4)15(17)19-7-2/h12,15H,6-11H2,1-5H3
InChIKeyQOHOTRYICSDQRK-UHFFFAOYSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-butyl-2-methyl-4H-pyridine-3-carboxylate
CID 135039627
4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one
CID 14836215
ethyl 1-hexyl-2,4-dimethyl-4H-pyridine-3-carboxylate
CID 102046004
1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
CID 174325824
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate
CID 154674224
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
1-butyl-5-ethoxyimidazolidine-2,4-dione
CID 18425970
ethyl (6S)-3-butyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 92970738
diethyl 1-butyl-4-hydroxy-6-methyl-4H-pyridine-2,3-dicarboxylate
CID 67893451
ethyl 1,4,5-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylate
CID 141253426

Frequently Asked Questions

What is the IUPAC name of ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate (CID 102507635) is ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate is CCCCN1C(C)=C(C(=O)OCC)CC(C)C1OCC.
What is the InChIKey of ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is QOHOTRYICSDQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-6-9-10-17-13(5)14(16(18)20-8-3)11-12(4)15(17)19-7-2/h12,15H,6-11H2,1-5H3.
What are the key properties of ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate?
ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 102507635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).