1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea

C15H14N4O3 — CID 135458727

IUPAC1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H14N4O3/c20-13-5-1-11(2-6-13)9-16-18-15(22)19-17-10-12-3-7-14(21)8-4-12/h1-10,20-21H,(H2,18,19,22)/b16-9+,17-10+
InChIKeyUPZUZADDSBPADJ-CZCYGEDCSA-N
MW298.30 g/mol
LogP1.76
Rot. Bonds4

About 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea

1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea (PubChem CID 135458727) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea
PubChem CID135458727
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H14N4O3/c20-13-5-1-11(2-6-13)9-16-18-15(22)19-17-10-12-3-7-14(21)8-4-12/h1-10,20-21H,(H2,18,19,22)/b16-9+,17-10+
InChIKeyUPZUZADDSBPADJ-CZCYGEDCSA-N
XLogP1.76
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea (CID 135458727) is 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea is O=C(N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea?
The InChIKey is UPZUZADDSBPADJ-CZCYGEDCSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-13-5-1-11(2-6-13)9-16-18-15(22)19-17-10-12-3-7-14(21)8-4-12/h1-10,20-21H,(H2,18,19,22)/b16-9+,17-10+.
What are the key properties of 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea?
1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea has a molecular weight of 298.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135458727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).