1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea

C15H15N3O3 — CID 135643114

IUPAC1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
SMILESC/C(=N\NC(=O)Nc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H15N3O3/c1-10(13-8-7-12(19)9-14(13)20)17-18-15(21)16-11-5-3-2-4-6-11/h2-9,19-20H,1H3,(H2,16,18,21)/b17-10+
InChIKeyALGGLWYXQVJIIF-LICLKQGHSA-N
MW285.30 g/mol
LogP2.64
Rot. Bonds3

About 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea

1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea (PubChem CID 135643114) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
PubChem CID135643114
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
SMILESC/C(=N\NC(=O)Nc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H15N3O3/c1-10(13-8-7-12(19)9-14(13)20)17-18-15(21)16-11-5-3-2-4-6-11/h2-9,19-20H,1H3,(H2,16,18,21)/b17-10+
InChIKeyALGGLWYXQVJIIF-LICLKQGHSA-N
XLogP2.64
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135557700
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
copper;bis(1-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea)
CID 135409898
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
CID 135554206
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 137166775
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135644319
N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4072889

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea (CID 135643114) is 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea is C/C(=N\NC(=O)Nc1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea?
The InChIKey is ALGGLWYXQVJIIF-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10(13-8-7-12(19)9-14(13)20)17-18-15(21)16-11-5-3-2-4-6-11/h2-9,19-20H,1H3,(H2,16,18,21)/b17-10+.
What are the key properties of 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea?
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea has a molecular weight of 285.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea is sourced from PubChem (CID 135643114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).