2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one

C15H19NO4 — CID 24744448

IUPAC2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one
SMILESCOc1ccc(N2C=CC(=O)CC2C(OC)OC)cc1
InChIInChI=1S/C15H19NO4/c1-18-13-6-4-11(5-7-13)16-9-8-12(17)10-14(16)15(19-2)20-3/h4-9,14-15H,10H2,1-3H3
InChIKeyMZXDVFLPCUUCPY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.98
Rot. Bonds5

About 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one

2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one (PubChem CID 24744448) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one
PubChem CID24744448
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one
SMILESCOc1ccc(N2C=CC(=O)CC2C(OC)OC)cc1
InChIInChI=1S/C15H19NO4/c1-18-13-6-4-11(5-7-13)16-9-8-12(17)10-14(16)15(19-2)20-3/h4-9,14-15H,10H2,1-3H3
InChIKeyMZXDVFLPCUUCPY-UHFFFAOYSA-N
XLogP1.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 71082337
2-(4-methoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3577375
(2S,3R)-2-(dimethoxymethyl)-1-(4-methoxyphenyl)-3-methylazetidine
CID 10729436
(2R,3S)-2-(dimethoxymethyl)-1-(4-methoxyphenyl)-3-methylazetidine
CID 101012391
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 98116144
4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 72770677
1,3-bis(4-methoxyphenyl)-2H-imidazole
CID 151621895
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
(3R,4S)-4-hydroxy-1-(4-methoxyphenyl)-3,4-dimethylpyrrolidin-2-one
CID 101405678
2-(4-methoxyphenyl)-5-propan-2-ylpyrazolidin-3-one
CID 105494571
1-(4-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670171

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one (CID 24744448) is 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one is COc1ccc(N2C=CC(=O)CC2C(OC)OC)cc1.
What is the InChIKey of 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one?
The InChIKey is MZXDVFLPCUUCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-13-6-4-11(5-7-13)16-9-8-12(17)10-14(16)15(19-2)20-3/h4-9,14-15H,10H2,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one?
2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one has a molecular weight of 277.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-1-(4-methoxyphenyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 24744448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).