1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea

C17H18N4O5 — CID 136621585

IUPAC1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N/NC(=O)N/N=C/c2ccc(OC)cc2O)c(O)c1
InChIInChI=1S/C17H18N4O5/c1-25-13-5-3-11(15(22)7-13)9-18-20-17(24)21-19-10-12-4-6-14(26-2)8-16(12)23/h3-10,22-23H,1-2H3,(H2,20,21,24)/b18-9+,19-10+
InChIKeyQOVGOULXTWCSEN-VNIJRHKQSA-N
MW358.35 g/mol
LogP1.78
Rot. Bonds6

About 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea

1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea (PubChem CID 136621585) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
PubChem CID136621585
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N/NC(=O)N/N=C/c2ccc(OC)cc2O)c(O)c1
InChIInChI=1S/C17H18N4O5/c1-25-13-5-3-11(15(22)7-13)9-18-20-17(24)21-19-10-12-4-6-14(26-2)8-16(12)23/h3-10,22-23H,1-2H3,(H2,20,21,24)/b18-9+,19-10+
InChIKeyQOVGOULXTWCSEN-VNIJRHKQSA-N
XLogP1.78
TPSA124.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1-nitroguanidine
CID 17572441
1,3-Bis[(2,5-dimethoxyphenyl)methylideneamino]urea
CID 304909
Phenyl-thioacetic acid [1-(2-hydroxy-4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029182
2,4-Dihydroxybenzaldehyde semicarbazone
CID 135504430
2,2a(2)-Bis[(2-methoxyphenyl)methylene]carbonic dihydrazide
CID 241318
1,3-Bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135408537
4-Methoxybenzyl-2-(4-hydroxybenzylidene)hydrazinecarboxylate
CID 135510348
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135404689
1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135407712
1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
CID 135447725
1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine
CID 86279916

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea (CID 136621585) is 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea is COc1ccc(/C=N/NC(=O)N/N=C/c2ccc(OC)cc2O)c(O)c1.
What is the InChIKey of 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
The InChIKey is QOVGOULXTWCSEN-VNIJRHKQSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-25-13-5-3-11(15(22)7-13)9-18-20-17(24)21-19-10-12-4-6-14(26-2)8-16(12)23/h3-10,22-23H,1-2H3,(H2,20,21,24)/b18-9+,19-10+.
What are the key properties of 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea has a molecular weight of 358.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 136621585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).