1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea

C23H22N6O2 — CID 6371525

IUPAC1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea
SMILESO=C(N/N=C\C/C(=N\NC(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H22N6O2/c30-22(25-19-12-6-2-7-13-19)28-24-17-16-21(18-10-4-1-5-11-18)27-29-23(31)26-20-14-8-3-9-15-20/h1-15,17H,16H2,(H2,25,28,30)(H2,26,29,31)/b24-17-,27-21+
InChIKeyZVWJPALHQZGVDT-VSYQNHSQSA-N
MW414.47 g/mol
LogP4.41
Rot. Bonds7

About 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea

1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea (PubChem CID 6371525) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea
PubChem CID6371525
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea
SMILESO=C(N/N=C\C/C(=N\NC(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H22N6O2/c30-22(25-19-12-6-2-7-13-19)28-24-17-16-21(18-10-4-1-5-11-18)27-29-23(31)26-20-14-8-3-9-15-20/h1-15,17H,16H2,(H2,25,28,30)(H2,26,29,31)/b24-17-,27-21+
InChIKeyZVWJPALHQZGVDT-VSYQNHSQSA-N
XLogP4.41
TPSA106.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid
CID 9241838
1-(butan-2-ylideneamino)-3-phenylurea
CID 904424
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
(4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate
CID 7081380
1-[(Z)-[(4S)-4-(methylamino)-6-oxoheptylidene]amino]-3-phenylurea
CID 135189828
1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride
CID 19692550
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea?
The IUPAC name of 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea (CID 6371525) is 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea.
What is the SMILES notation for 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea?
The canonical SMILES for 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea is O=C(N/N=C\C/C(=N\NC(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea?
The InChIKey is ZVWJPALHQZGVDT-VSYQNHSQSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-22(25-19-12-6-2-7-13-19)28-24-17-16-21(18-10-4-1-5-11-18)27-29-23(31)26-20-14-8-3-9-15-20/h1-15,17H,16H2,(H2,25,28,30)(H2,26,29,31)/b24-17-,27-21+.
What are the key properties of 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea?
1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea has a molecular weight of 414.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea is sourced from PubChem (CID 6371525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).