3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one

C18H22N2O3 — CID 135401339

IUPAC3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one
SMILESCCO/N=C(\C)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H22N2O3/c1-5-23-19-13(4)17-16(21)11-15(12(2)3)20(18(17)22)14-9-7-6-8-10-14/h6-12,21H,5H2,1-4H3/b19-13+
InChIKeyPBOUEOBWUOVWNS-CPNJWEJPSA-N
MW314.39 g/mol
LogP3.43
Rot. Bonds5

About 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one

3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one (PubChem CID 135401339) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one
PubChem CID135401339
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one
SMILESCCO/N=C(\C)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H22N2O3/c1-5-23-19-13(4)17-16(21)11-15(12(2)3)20(18(17)22)14-9-7-6-8-10-14/h6-12,21H,5H2,1-4H3/b19-13+
InChIKeyPBOUEOBWUOVWNS-CPNJWEJPSA-N
XLogP3.43
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-3-(1-hydroxyiminoethyl)-1,6-diphenyl-1,2-dihydropyridin-2-one
CID 135454245
3-acetyl-4-hydroxy-6-isopropyl-1-phenyl-2(1H)-pyridinone
CID 54686079
6-tert-butyl-3-(N-ethoxyethanimidoyl)-4-hydroxy-1-phenyl-2(1H)-pyridinone
CID 135401326
5-ethyl-4-hydroxy-3-(N-hydroxyethanimidoyl)-1,6-diphenyl-2(1H)-pyridinone
CID 135401327
4-hydroxy-3-(N-hydroxyethanimidoyl)-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 135401361
3-(N-ethoxyethanimidoyl)-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135401362
3-[N-(allyloxy)ethanimidoyl]-4-hydroxy-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 135473442
3-[N-(allyloxy)ethanimidoyl]-5-ethyl-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135473445
3-[N-(benzyloxy)ethanimidoyl]-4-hydroxy-6-isopropyl-1-phenyl-2(1H)-pyridinone
CID 135401416
4-hydroxy-3-(N-hydroxypropanimidoyl)-1-phenyl-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 135401380
3-(N-ethoxyethanimidoyl)-5-ethyl-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135473446
3-(N-ethoxyethanimidoyl)-4-hydroxy-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 135473447

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one (CID 135401339) is 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one is CCO/N=C(\C)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one?
The InChIKey is PBOUEOBWUOVWNS-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-5-23-19-13(4)17-16(21)11-15(12(2)3)20(18(17)22)14-9-7-6-8-10-14/h6-12,21H,5H2,1-4H3/b19-13+.
What are the key properties of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one?
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 135401339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).