1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea

C21H19N3O2 — CID 5332482

IUPAC1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H19N3O2/c25-21(23-19-12-5-2-6-13-19)24-22-15-18-11-7-8-14-20(18)26-16-17-9-3-1-4-10-17/h1-15H,16H2,(H2,23,24,25)/b22-15+
InChIKeyOQPZRZBDLCSUDJ-PXLXIMEGSA-N
MW345.40 g/mol
LogP4.42
Rot. Bonds6

About 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea

1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea (PubChem CID 5332482) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea
PubChem CID5332482
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H19N3O2/c25-21(23-19-12-5-2-6-13-19)24-22-15-18-11-7-8-14-20(18)26-16-17-9-3-1-4-10-17/h1-15H,16H2,(H2,23,24,25)/b22-15+
InChIKeyOQPZRZBDLCSUDJ-PXLXIMEGSA-N
XLogP4.42
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.42
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 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea (CID 5332482) is 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea is O=C(N/N=C/c1ccccc1OCc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea?
The InChIKey is OQPZRZBDLCSUDJ-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(23-19-12-5-2-6-13-19)24-22-15-18-11-7-8-14-20(18)26-16-17-9-3-1-4-10-17/h1-15H,16H2,(H2,23,24,25)/b22-15+.
What are the key properties of 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea?
1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea has a molecular weight of 345.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 5332482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).