[(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea

C18H15N3O2 — CID 10686004

IUPAC[(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15N3O2/c19-18(22)21-20-12-13-5-8-16(9-6-13)23-17-10-7-14-3-1-2-4-15(14)11-17/h1-12H,(H3,19,21,22)/b20-12+
InChIKeyOZECEDXNUSIRRO-UDWIEESQSA-N
MW305.34 g/mol
LogP3.63
Rot. Bonds4

About [(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea

[(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea (PubChem CID 10686004) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is [(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea
PubChem CID10686004
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name[(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15N3O2/c19-18(22)21-20-12-13-5-8-16(9-6-13)23-17-10-7-14-3-1-2-4-15(14)11-17/h1-12H,(H3,19,21,22)/b20-12+
InChIKeyOZECEDXNUSIRRO-UDWIEESQSA-N
XLogP3.63
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.63
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-naphthalen-2-yloxyphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea (CID 10686004) is [(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea is NC(=O)N/N=C/c1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of [(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea?
The InChIKey is OZECEDXNUSIRRO-UDWIEESQSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-18(22)21-20-12-13-5-8-16(9-6-13)23-17-10-7-14-3-1-2-4-15(14)11-17/h1-12H,(H3,19,21,22)/b20-12+.
What are the key properties of [(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea?
[(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea has a molecular weight of 305.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea is sourced from PubChem (CID 10686004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).