3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide

C24H23N3O3 — CID 55788298

IUPAC3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3O3/c1-3-22(28)25-19-11-13-20(14-12-19)26-24(30)18-10-9-16(2)21(15-18)27-23(29)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyYNSCSPCMFVQULS-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.85
Rot. Bonds6

About 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide

3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide (PubChem CID 55788298) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
PubChem CID55788298
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3O3/c1-3-22(28)25-19-11-13-20(14-12-19)26-24(30)18-10-9-16(2)21(15-18)27-23(29)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyYNSCSPCMFVQULS-UHFFFAOYSA-N
XLogP4.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
CID 55724997
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 46478145
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide (CID 55788298) is 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide is CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide?
The InChIKey is YNSCSPCMFVQULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-22(28)25-19-11-13-20(14-12-19)26-24(30)18-10-9-16(2)21(15-18)27-23(29)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,25,28)(H,26,30)(H,27,29).
What are the key properties of 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide?
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 55788298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).