3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide

C26H27N3O3 — CID 46432967

IUPAC3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H27N3O3/c1-4-24(30)28-22-14-12-19(13-15-22)18(3)27-26(32)21-11-10-17(2)23(16-21)29-25(31)20-8-6-5-7-9-20/h5-16,18H,4H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyHGRLSJHBIWSDSH-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.09
Rot. Bonds7

About 3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide

3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (PubChem CID 46432967) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
PubChem CID46432967
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H27N3O3/c1-4-24(30)28-22-14-12-19(13-15-22)18(3)27-26(32)21-11-10-17(2)23(16-21)29-25(31)20-8-6-5-7-9-20/h5-16,18H,4H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyHGRLSJHBIWSDSH-UHFFFAOYSA-N
XLogP5.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide
CID 55632235
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
CID 87045343
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657574
2-[(4-methoxybenzoyl)amino]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55655999
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (CID 46432967) is 3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The InChIKey is HGRLSJHBIWSDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-4-24(30)28-22-14-12-19(13-15-22)18(3)27-26(32)21-11-10-17(2)23(16-21)29-25(31)20-8-6-5-7-9-20/h5-16,18H,4H2,1-3H3,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of 3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 5.09, 7 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-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 46432967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).