N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide

C19H17NO5 — CID 22431219

IUPACN-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
SMILESCOc1ccc(C(=O)CC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H17NO5/c1-12(21)14-4-3-5-15(10-14)20-19(24)18(23)11-17(22)13-6-8-16(25-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyTZRQMKQBWIHGJD-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.68
Rot. Bonds7

About N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide

N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide (PubChem CID 22431219) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
PubChem CID22431219
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
SMILESCOc1ccc(C(=O)CC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H17NO5/c1-12(21)14-4-3-5-15(10-14)20-19(24)18(23)11-17(22)13-6-8-16(25-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyTZRQMKQBWIHGJD-UHFFFAOYSA-N
XLogP2.68
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Encainide
CID 48041
Ecabapide
CID 65885
Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
3-Amino-4-methoxybenzanilide
CID 8426
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
VU0357121
CID 2296132
4-Methoxy-N-(1-naphthyl)benzamide
CID 303390
4-Methoxy-N-phenylbenzohydroxamic acid
CID 777378
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
The IUPAC name of N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide (CID 22431219) is N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide is COc1ccc(C(=O)CC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
The InChIKey is TZRQMKQBWIHGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-12(21)14-4-3-5-15(10-14)20-19(24)18(23)11-17(22)13-6-8-16(25-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide has a molecular weight of 339.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide is sourced from PubChem (CID 22431219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).