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

C18H17NO5 — CID 6424832

IUPACN,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
SMILESCOc1ccc(NC(=O)C(=O)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO5/c1-23-14-7-3-12(4-8-14)16(20)11-17(21)18(22)19-13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyOBNJZFGWKGVCKL-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.48
Rot. Bonds7

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

N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide (PubChem CID 6424832) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide.

Molecular Properties

Compound NameN,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
PubChem CID6424832
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC NameN,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
SMILESCOc1ccc(NC(=O)C(=O)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO5/c1-23-14-7-3-12(4-8-14)16(20)11-17(21)18(22)19-13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyOBNJZFGWKGVCKL-UHFFFAOYSA-N
XLogP2.48
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.48
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-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
CID 126458118
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
methyl 2-[[4-(4-methoxyphenyl)-2,4-dioxobutanoyl]amino]benzoate
CID 177254221
4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide
CID 3075421
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
3-(4-iodoanilino)-1-(4-methoxyphenyl)but-3-en-1-one
CID 2290920
N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
CID 153346507
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide?
The IUPAC name of N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide (CID 6424832) is N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide.
What is the SMILES notation for N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide?
The canonical SMILES for N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide is COc1ccc(NC(=O)C(=O)CC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide?
The InChIKey is OBNJZFGWKGVCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-14-7-3-12(4-8-14)16(20)11-17(21)18(22)19-13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide?
N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide has a molecular weight of 327.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide is sourced from PubChem (CID 6424832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).