N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide

C25H23N3O2 — CID 6514335

IUPACN'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide
SMILESO=C(CCC(=O)Nc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c29-24(26-22-14-8-3-9-15-22)18-19-25(30)28-27-23(21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-17H,18-19H2,(H,26,29)(H,28,30)/b17-16+,27-23-
InChIKeyUXZFYTRXPQDXGT-YIFIZYLOSA-N
MW397.48 g/mol
LogP4.64
Rot. Bonds8

About N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide

N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide (PubChem CID 6514335) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide.

Molecular Properties

Compound NameN'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide
PubChem CID6514335
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide
SMILESO=C(CCC(=O)Nc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c29-24(26-22-14-8-3-9-15-22)18-19-25(30)28-27-23(21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-17H,18-19H2,(H,26,29)(H,28,30)/b17-16+,27-23-
InChIKeyUXZFYTRXPQDXGT-YIFIZYLOSA-N
XLogP4.64
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.64
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
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869
N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide
CID 93028204
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2-(2-methylanilino)acetamide
CID 93046781
N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3255207
2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
CID 93028108
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
4-oxo-N,4-diphenylbutanamide
CID 825307
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide?
The IUPAC name of N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide (CID 6514335) is N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide.
What is the SMILES notation for N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide?
The canonical SMILES for N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide is O=C(CCC(=O)Nc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide?
The InChIKey is UXZFYTRXPQDXGT-YIFIZYLOSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-24(26-22-14-8-3-9-15-22)18-19-25(30)28-27-23(21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-17H,18-19H2,(H,26,29)(H,28,30)/b17-16+,27-23-.
What are the key properties of N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide?
N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide has a molecular weight of 397.48 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide is sourced from PubChem (CID 6514335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).