N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide

C19H19NO6 — CID 153346507

IUPACN-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
SMILESCOc1cc(NC(=O)C(=O)CC(=O)c2cccc(OC)c2)cc(OC)c1
InChIInChI=1S/C19H19NO6/c1-24-14-6-4-5-12(7-14)17(21)11-18(22)19(23)20-13-8-15(25-2)10-16(9-13)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyYDWDIKRAAMYIII-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.49
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide

N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide (PubChem CID 153346507) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
PubChem CID153346507
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
SMILESCOc1cc(NC(=O)C(=O)CC(=O)c2cccc(OC)c2)cc(OC)c1
InChIInChI=1S/C19H19NO6/c1-24-14-6-4-5-12(7-14)17(21)11-18(22)19(23)20-13-8-15(25-2)10-16(9-13)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyYDWDIKRAAMYIII-UHFFFAOYSA-N
XLogP2.49
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
CID 22431239
N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
CID 6424832
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide
CID 87584613
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22782821

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide (CID 153346507) is N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide is COc1cc(NC(=O)C(=O)CC(=O)c2cccc(OC)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide?
The InChIKey is YDWDIKRAAMYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-14-6-4-5-12(7-14)17(21)11-18(22)19(23)20-13-8-15(25-2)10-16(9-13)26-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide?
N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide has a molecular weight of 357.36 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide is sourced from PubChem (CID 153346507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).