N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide

C19H19NO5 — CID 22431224

IUPACN-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
SMILESCCOc1ccccc1NC(=O)C(=O)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H19NO5/c1-3-25-18-7-5-4-6-15(18)20-19(23)17(22)12-16(21)13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyAVMYAFUMJZHBBW-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.87
Rot. Bonds8

About N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide

N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide (PubChem CID 22431224) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
PubChem CID22431224
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
SMILESCCOc1ccccc1NC(=O)C(=O)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H19NO5/c1-3-25-18-7-5-4-6-15(18)20-19(23)17(22)12-16(21)13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyAVMYAFUMJZHBBW-UHFFFAOYSA-N
XLogP2.87
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.87
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'}

Analyze N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
3-Amino-4-methoxybenzanilide
CID 8426
VU0357121
CID 2296132
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
Zinc00087491
CID 358458
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
2'-Methoxy-2-phenylacetanilide
CID 258229
4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
CID 127045675
3-[(5-Acetyl-2-Ethoxyphenyl)carbamoyl]benzoic Acid
CID 91808023
N-[3-acetamido-5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 132275014

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide (CID 22431224) is N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide is CCOc1ccccc1NC(=O)C(=O)CC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
The InChIKey is AVMYAFUMJZHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-25-18-7-5-4-6-15(18)20-19(23)17(22)12-16(21)13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide has a molecular weight of 341.36 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide is sourced from PubChem (CID 22431224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).