4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide

C26H25N3O2 — CID 3384778

IUPAC4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-9-25(30)27-23-17-15-22(16-18-23)26(31)29-28-24(21-12-7-4-8-13-21)19-14-20-10-5-3-6-11-20/h3-8,10-19H,2,9H2,1H3,(H,27,30)(H,29,31)
InChIKeySJGQLEPLVGFNPW-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.27
Rot. Bonds8

About 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide

4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide (PubChem CID 3384778) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide
PubChem CID3384778
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-9-25(30)27-23-17-15-22(16-18-23)26(31)29-28-24(21-12-7-4-8-13-21)19-14-20-10-5-3-6-11-20/h3-8,10-19H,2,9H2,1H3,(H,27,30)(H,29,31)
InChIKeySJGQLEPLVGFNPW-UHFFFAOYSA-N
XLogP5.27
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide
CID 93028204
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide
CID 6514335
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-4-(3-methylbutanoylamino)benzamide
CID 6117901
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide?
The IUPAC name of 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide (CID 3384778) is 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide?
The canonical SMILES for 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide is CCCC(=O)Nc1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide?
The InChIKey is SJGQLEPLVGFNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-9-25(30)27-23-17-15-22(16-18-23)26(31)29-28-24(21-12-7-4-8-13-21)19-14-20-10-5-3-6-11-20/h3-8,10-19H,2,9H2,1H3,(H,27,30)(H,29,31).
What are the key properties of 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide?
4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide has a molecular weight of 411.51 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide is sourced from PubChem (CID 3384778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).