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

C19H19NO5 — CID 126458118

IUPACN-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
SMILESCCOc1ccc(NC(=O)C(=O)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO5/c1-3-25-16-10-6-14(7-11-16)20-19(23)18(22)12-17(21)13-4-8-15(24-2)9-5-13/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyWIJPOBCNBUDPSA-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.87
Rot. Bonds8

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

N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide (PubChem CID 126458118) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
PubChem CID126458118
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
SMILESCCOc1ccc(NC(=O)C(=O)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO5/c1-3-25-16-10-6-14(7-11-16)20-19(23)18(22)12-17(21)13-4-8-15(24-2)9-5-13/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyWIJPOBCNBUDPSA-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'}

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Related Compounds

N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
CID 6424832
methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate
CID 3803733
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 5174149
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133149
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 2917325
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide (CID 126458118) is N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide is CCOc1ccc(NC(=O)C(=O)CC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
The InChIKey is WIJPOBCNBUDPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-25-16-10-6-14(7-11-16)20-19(23)18(22)12-17(21)13-4-8-15(24-2)9-5-13/h4-11H,3,12H2,1-2H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide?
N-(4-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-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide is sourced from PubChem (CID 126458118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).