N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide

C18H18N2O4 — CID 110178700

IUPACN-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CC(C)=O)cc2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(21)11-17(22)19-14-5-3-13(4-6-14)18(23)20-15-7-9-16(24-2)10-8-15/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyILGVVQVJWYVSDR-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.87
Rot. Bonds6

About N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide

N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide (PubChem CID 110178700) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
PubChem CID110178700
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CC(C)=O)cc2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(21)11-17(22)19-14-5-3-13(4-6-14)18(23)20-15-7-9-16(24-2)10-8-15/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyILGVVQVJWYVSDR-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide (CID 110178700) is N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CC(C)=O)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide?
The InChIKey is ILGVVQVJWYVSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(21)11-17(22)19-14-5-3-13(4-6-14)18(23)20-15-7-9-16(24-2)10-8-15/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide?
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide has a molecular weight of 326.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide is sourced from PubChem (CID 110178700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).