1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione

C20H23NO6 — CID 161126241

IUPAC1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione
SMILESCCn1cc(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)c(=O)cc1OC
InChIInChI=1S/C20H23NO6/c1-5-21-12-14(17(24)11-20(21)27-4)16(23)8-7-15(22)13-6-9-18(25-2)19(10-13)26-3/h6,9-12H,5,7-8H2,1-4H3
InChIKeyBTFRFIZZYXTPKY-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.74
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione

1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione (PubChem CID 161126241) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione
PubChem CID161126241
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione
SMILESCCn1cc(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)c(=O)cc1OC
InChIInChI=1S/C20H23NO6/c1-5-21-12-14(17(24)11-20(21)27-4)16(23)8-7-15(22)13-6-9-18(25-2)19(10-13)26-3/h6,9-12H,5,7-8H2,1-4H3
InChIKeyBTFRFIZZYXTPKY-UHFFFAOYSA-N
XLogP2.74
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione with MolForge

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Related Compounds

3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-(3,4-dimethoxyphenyl)-3-ethylsulfanylpropan-1-one
CID 15365888
3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
CID 2925638
1-(5-bromofuran-2-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione
CID 159254537
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-3-yl]butan-1-one
CID 79109962
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 53415502
1-(3,4-dimethoxyphenyl)-4-(4-methylpyridin-1-ium-1-yl)butan-1-one
CID 14210673
2-(4-hexanoyl-2-methoxyphenoxy)acetic acid
CID 154164462
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 33340979
1-(3,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanone
CID 65134393

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione (CID 161126241) is 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione is CCn1cc(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)c(=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione?
The InChIKey is BTFRFIZZYXTPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-5-21-12-14(17(24)11-20(21)27-4)16(23)8-7-15(22)13-6-9-18(25-2)19(10-13)26-3/h6,9-12H,5,7-8H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione?
1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione has a molecular weight of 373.41 g/mol, XLogP of 2.74, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-(1-ethyl-6-methoxy-4-oxo-3-pyridinyl)butane-1,4-dione is sourced from PubChem (CID 161126241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).