[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea

C15H15N3O2 — CID 136506570

IUPAC[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea
SMILESCc1cccc(-c2ccc(O)c(/C=N\NC(N)=O)c2)c1
InChIInChI=1S/C15H15N3O2/c1-10-3-2-4-11(7-10)12-5-6-14(19)13(8-12)9-17-18-15(16)20/h2-9,19H,1H3,(H3,16,18,20)/b17-9-
InChIKeyNSLVVEKFDGHETE-MFOYZWKCSA-N
MW269.30 g/mol
LogP2.37
Rot. Bonds3

About [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea

[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea (PubChem CID 136506570) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea
PubChem CID136506570
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea
SMILESCc1cccc(-c2ccc(O)c(/C=N\NC(N)=O)c2)c1
InChIInChI=1S/C15H15N3O2/c1-10-3-2-4-11(7-10)12-5-6-14(19)13(8-12)9-17-18-15(16)20/h2-9,19H,1H3,(H3,16,18,20)/b17-9-
InChIKeyNSLVVEKFDGHETE-MFOYZWKCSA-N
XLogP2.37
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea
CID 136657265
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
[[2-hydroxy-5-[3-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
CID 136591908
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide
CID 139180603
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea
CID 135698985

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea (CID 136506570) is [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea is Cc1cccc(-c2ccc(O)c(/C=N\NC(N)=O)c2)c1.
What is the InChIKey of [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea?
The InChIKey is NSLVVEKFDGHETE-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-3-2-4-11(7-10)12-5-6-14(19)13(8-12)9-17-18-15(16)20/h2-9,19H,1H3,(H3,16,18,20)/b17-9-.
What are the key properties of [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea?
[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea has a molecular weight of 269.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea is sourced from PubChem (CID 136506570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).