N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide

C25H23N3O2 — CID 93028204

IUPACN-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C(\C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c1-2-24(29)26-22-16-14-21(15-17-22)25(30)28-27-23(20-11-7-4-8-12-20)18-13-19-9-5-3-6-10-19/h3-18H,2H2,1H3,(H,26,29)(H,28,30)/b18-13-,27-23+
InChIKeyHRJGQCFEDQGZJA-DAPUAIMASA-N
MW397.48 g/mol
LogP4.88
Rot. Bonds7

About N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide

N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide (PubChem CID 93028204) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide
PubChem CID93028204
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C(\C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c1-2-24(29)26-22-16-14-21(15-17-22)25(30)28-27-23(20-11-7-4-8-12-20)18-13-19-9-5-3-6-10-19/h3-18H,2H2,1H3,(H,26,29)(H,28,30)/b18-13-,27-23+
InChIKeyHRJGQCFEDQGZJA-DAPUAIMASA-N
XLogP4.88
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.88
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

4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3384778
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide
CID 6514335
N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-4-(3-methylbutanoylamino)benzamide
CID 6117901
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
CID 93028108

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide (CID 93028204) is N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)N/N=C(\C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide?
The InChIKey is HRJGQCFEDQGZJA-DAPUAIMASA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-24(29)26-22-16-14-21(15-17-22)25(30)28-27-23(20-11-7-4-8-12-20)18-13-19-9-5-3-6-10-19/h3-18H,2H2,1H3,(H,26,29)(H,28,30)/b18-13-,27-23+.
What are the key properties of N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide?
N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide has a molecular weight of 397.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 93028204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).