1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea

C15H15N3O3 — CID 101171447

IUPAC1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
SMILESO=C(NO)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H15N3O3/c19-15(18-20)17-16-10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13/h1-10,20H,11H2,(H2,17,18,19)/b16-10-
InChIKeyWROGGFHRRRMFKA-YBEGLDIGSA-N
MW285.30 g/mol
LogP2.29
Rot. Bonds5

About 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea

1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea (PubChem CID 101171447) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
PubChem CID101171447
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
SMILESO=C(NO)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H15N3O3/c19-15(18-20)17-16-10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13/h1-10,20H,11H2,(H2,17,18,19)/b16-10-
InChIKeyWROGGFHRRRMFKA-YBEGLDIGSA-N
XLogP2.29
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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

N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
CID 4309839
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 5244013
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea (CID 101171447) is 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea is O=C(NO)N/N=C\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea?
The InChIKey is WROGGFHRRRMFKA-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-15(18-20)17-16-10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13/h1-10,20H,11H2,(H2,17,18,19)/b16-10-.
What are the key properties of 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea?
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea has a molecular weight of 285.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 101171447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).