N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide

C18H18N2O3 — CID 9164611

IUPACN-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-19-18(23)14-7-9-15(10-8-14)20-17(22)12-11-16(21)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyARNFOKNPVUWZOO-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide

N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide (PubChem CID 9164611) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
PubChem CID9164611
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-19-18(23)14-7-9-15(10-8-14)20-17(22)12-11-16(21)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyARNFOKNPVUWZOO-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N,4-diphenylbutanamide
CID 825307
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide
CID 30909554
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid
CID 108796240
N-methylbenzamide
CID 11954
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
The IUPAC name of N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide (CID 9164611) is N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide.
What is the SMILES notation for N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
The canonical SMILES for N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide is CNC(=O)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
The InChIKey is ARNFOKNPVUWZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19-18(23)14-7-9-15(10-8-14)20-17(22)12-11-16(21)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide is sourced from PubChem (CID 9164611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).