1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea

C21H19N3O2 — CID 16752879

IUPAC1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea
SMILESCc1ccc(/C=N/NC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H19N3O2/c1-16-11-13-17(14-12-16)15-22-24-21(25)23-19-9-5-6-10-20(19)26-18-7-3-2-4-8-18/h2-15H,1H3,(H2,23,24,25)/b22-15+
InChIKeyIPDVTSQBYKDNJF-PXLXIMEGSA-N
MW345.40 g/mol
LogP4.94
Rot. Bonds5

About 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea

1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea (PubChem CID 16752879) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea
PubChem CID16752879
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea
SMILESCc1ccc(/C=N/NC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H19N3O2/c1-16-11-13-17(14-12-16)15-22-24-21(25)23-19-9-5-6-10-20(19)26-18-7-3-2-4-8-18/h2-15H,1H3,(H2,23,24,25)/b22-15+
InChIKeyIPDVTSQBYKDNJF-PXLXIMEGSA-N
XLogP4.94
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.94
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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Related Compounds

(2E)-2-(4-ethoxybenzylidene)-N-phenylhydrazinecarboxamide
CID 9556778
(2E)-2-{3-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-N-phenylhydrazinecarboxamide
CID 5344460
1-(2-methoxyphenyl)-3-[(E)-(3-methylphenyl)methylideneamino]thiourea
CID 6905203
1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea
CID 5332482
1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6903408
1-[(E)-[4-(4-fluorophenoxy)phenyl]methylideneamino]-3-phenylthiourea
CID 56970554
1-(4-fluorophenyl)-3-[(E)-(4-phenoxyphenyl)methylideneamino]thiourea
CID 56971231
1-(4-fluorophenyl)-3-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]thiourea
CID 56971460
N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide
CID 73352602
2-(2-(3-(Allyloxy)benzylidene)hydrazino)-N-(2-methoxyphenyl)-2-oxoacetamide
CID 6871654
2-(Benzyloxy)benzaldehyde N-phenylthiosemicarbazone
CID 7575251
1-[(E)-(4-phenoxyphenyl)methylideneamino]-3-phenylthiourea
CID 56970345

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea (CID 16752879) is 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea is Cc1ccc(/C=N/NC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea?
The InChIKey is IPDVTSQBYKDNJF-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-16-11-13-17(14-12-16)15-22-24-21(25)23-19-9-5-6-10-20(19)26-18-7-3-2-4-8-18/h2-15H,1H3,(H2,23,24,25)/b22-15+.
What are the key properties of 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea?
1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea has a molecular weight of 345.40 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-methylphenyl)methylideneamino]-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 16752879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).