[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea

C15H15N3O2 — CID 5368636

IUPAC[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c16-15(19)18-17-10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-10H,11H2,(H3,16,18,19)/b17-10-
InChIKeySNXQQRSZKXEUCP-YVLHZVERSA-N
MW269.30 g/mol
LogP2.27
Rot. Bonds5

About [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea

[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea (PubChem CID 5368636) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
PubChem CID5368636
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c16-15(19)18-17-10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-10H,11H2,(H3,16,18,19)/b17-10-
InChIKeySNXQQRSZKXEUCP-YVLHZVERSA-N
XLogP2.27
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea (CID 5368636) is [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea is NC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea?
The InChIKey is SNXQQRSZKXEUCP-YVLHZVERSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-15(19)18-17-10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-10H,11H2,(H3,16,18,19)/b17-10-.
What are the key properties of [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea?
[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea has a molecular weight of 269.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 5368636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).