[(E)-(4-phenoxyphenyl)methylideneamino]urea

C14H13N3O2 — CID 6904685

IUPAC[(E)-(4-phenoxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13N3O2/c15-14(18)17-16-10-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10H,(H3,15,17,18)/b16-10+
InChIKeyCBGLRILSDNCIFX-MHWRWJLKSA-N
MW255.28 g/mol
LogP2.48
Rot. Bonds4

About [(E)-(4-phenoxyphenyl)methylideneamino]urea

[(E)-(4-phenoxyphenyl)methylideneamino]urea (PubChem CID 6904685) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [(E)-(4-phenoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(4-phenoxyphenyl)methylideneamino]urea
PubChem CID6904685
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name[(E)-(4-phenoxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13N3O2/c15-14(18)17-16-10-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10H,(H3,15,17,18)/b16-10+
InChIKeyCBGLRILSDNCIFX-MHWRWJLKSA-N
XLogP2.48
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of [(E)-(4-phenoxyphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(4-phenoxyphenyl)methylideneamino]urea (CID 6904685) is [(E)-(4-phenoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(4-phenoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(4-phenoxyphenyl)methylideneamino]urea is NC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [(E)-(4-phenoxyphenyl)methylideneamino]urea?
The InChIKey is CBGLRILSDNCIFX-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-14(18)17-16-10-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10H,(H3,15,17,18)/b16-10+.
What are the key properties of [(E)-(4-phenoxyphenyl)methylideneamino]urea?
[(E)-(4-phenoxyphenyl)methylideneamino]urea has a molecular weight of 255.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-phenoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 6904685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).