4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one

C17H23NO2 — CID 150739756

IUPAC4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one
SMILESCCCCOC1CC(=O)N(CC)C=C1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-3-5-11-20-16-12-17(19)18(4-2)13-15(16)14-9-7-6-8-10-14/h6-10,13,16H,3-5,11-12H2,1-2H3
InChIKeyJTPBBNOMVXPSML-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.46
Rot. Bonds6

About 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one

4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one (PubChem CID 150739756) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one
PubChem CID150739756
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one
SMILESCCCCOC1CC(=O)N(CC)C=C1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-3-5-11-20-16-12-17(19)18(4-2)13-15(16)14-9-7-6-8-10-14/h6-10,13,16H,3-5,11-12H2,1-2H3
InChIKeyJTPBBNOMVXPSML-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-pentoxypyrrolidine-2,5-dione
CID 67816194
4-butoxy-5-phenyl-3,4-dihydro-2H-pyrrole
CID 90729158
[(2S)-2-butoxycyclopropyl]benzene
CID 90226086
[(1R,2S)-2-butoxycyclopropyl]benzene
CID 13263840
[(1R,2R)-2-butoxycyclopropyl]benzene
CID 13263839
1-butanoyl-3-pentoxypyrrolidine-2,5-dione
CID 174711752
7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
CID 122208722
4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
CID 11346272
2,5-dibutoxy-4-diazo-1-phenylpiperidine
CID 20511434
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
CID 68601323
CID 68601323
benzyl-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 7329798

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one?
The IUPAC name of 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one (CID 150739756) is 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one is CCCCOC1CC(=O)N(CC)C=C1c1ccccc1.
What is the InChIKey of 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one?
The InChIKey is JTPBBNOMVXPSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-11-20-16-12-17(19)18(4-2)13-15(16)14-9-7-6-8-10-14/h6-10,13,16H,3-5,11-12H2,1-2H3.
What are the key properties of 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one?
4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 150739756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).