[(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea

C16H17N3O3 — CID 135589391

IUPAC[(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea
SMILESCOc1ccc(/C(=N/NC(N)=O)c2ccc(C)cc2)c(O)c1
InChIInChI=1S/C16H17N3O3/c1-10-3-5-11(6-4-10)15(18-19-16(17)21)13-8-7-12(22-2)9-14(13)20/h3-9,20H,1-2H3,(H3,17,19,21)/b18-15+
InChIKeyMZMIJALKVQROEH-OBGWFSINSA-N
MW299.33 g/mol
LogP2.13
Rot. Bonds4

About [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea

[(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea (PubChem CID 135589391) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea
PubChem CID135589391
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea
SMILESCOc1ccc(/C(=N/NC(N)=O)c2ccc(C)cc2)c(O)c1
InChIInChI=1S/C16H17N3O3/c1-10-3-5-11(6-4-10)15(18-19-16(17)21)13-8-7-12(22-2)9-14(13)20/h3-9,20H,1-2H3,(H3,17,19,21)/b18-15+
InChIKeyMZMIJALKVQROEH-OBGWFSINSA-N
XLogP2.13
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
CID 4154047
2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 71673973
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea
CID 137320304
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
CID 88635833
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 135738429
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445
N-(2-amino-4-methylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43259027
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea?
The IUPAC name of [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea (CID 135589391) is [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea.
What is the SMILES notation for [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea?
The canonical SMILES for [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea is COc1ccc(/C(=N/NC(N)=O)c2ccc(C)cc2)c(O)c1.
What is the InChIKey of [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea?
The InChIKey is MZMIJALKVQROEH-OBGWFSINSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-3-5-11(6-4-10)15(18-19-16(17)21)13-8-7-12(22-2)9-14(13)20/h3-9,20H,1-2H3,(H3,17,19,21)/b18-15+.
What are the key properties of [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea?
[(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea has a molecular weight of 299.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea is sourced from PubChem (CID 135589391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).