[(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea

C14H13N3O3 — CID 175287544

IUPAC[(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(Oc2ccccc2)cc1O
InChIInChI=1S/C14H13N3O3/c15-14(19)17-16-9-10-6-7-12(8-13(10)18)20-11-4-2-1-3-5-11/h1-9,18H,(H3,15,17,19)
InChIKeyUGVFGIFIJWAXBT-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.19
Rot. Bonds4

About [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea

[(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea (PubChem CID 175287544) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea
PubChem CID175287544
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name[(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(Oc2ccccc2)cc1O
InChIInChI=1S/C14H13N3O3/c15-14(19)17-16-9-10-6-7-12(8-13(10)18)20-11-4-2-1-3-5-11/h1-9,18H,(H3,15,17,19)
InChIKeyUGVFGIFIJWAXBT-UHFFFAOYSA-N
XLogP2.19
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.19
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

[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
CID 9017296
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
1-N,3-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-5-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenoxy]benzene-1,3-dicarboxamide
CID 177388501
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 137074822
[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea
CID 168533783
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
[(E)-benzylideneamino]urea
CID 6861419
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420

Frequently Asked Questions

What is the IUPAC name of [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea?
The IUPAC name of [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea (CID 175287544) is [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea is NC(=O)NN=Cc1ccc(Oc2ccccc2)cc1O.
What is the InChIKey of [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea?
The InChIKey is UGVFGIFIJWAXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-14(19)17-16-9-10-6-7-12(8-13(10)18)20-11-4-2-1-3-5-11/h1-9,18H,(H3,15,17,19).
What are the key properties of [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea?
[(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea has a molecular weight of 271.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxy-4-phenoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 175287544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).