1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

C14H19N3O2 — CID 135615600

IUPAC1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1O)NC1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h4-6,9-10,12,18H,1-3,7-8H2,(H2,16,17,19)/b15-10+
InChIKeyCIGZYLJCFHDRNU-XNTDXEJSSA-N
MW261.32 g/mol
LogP2.36
Rot. Bonds3

About 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (PubChem CID 135615600) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
PubChem CID135615600
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1O)NC1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h4-6,9-10,12,18H,1-3,7-8H2,(H2,16,17,19)/b15-10+
InChIKeyCIGZYLJCFHDRNU-XNTDXEJSSA-N
XLogP2.36
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.36
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'}

Analyze 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxybenzaldehyde semicarbazone
CID 135466838
N1-Phenethyl-2-(2-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135472960
N-bicyclo[2.2.1]hept-5-en-2-yl-2-[(2-hydroxyphenyl)methylene]-1-hydrazinecarbothioamide
CID 135488769
2-(4-Cyclohexylthiosemicarbazono)methyl-phenol
CID 135676207
2-[(2-Hydroxyphenyl)methylene]-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]hydrazinecarboxamide
CID 335340
1,5-Bis(salicylidene)carbohydrazide
CID 96015
1-(1-adamantyl)-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
CID 135515663
3-(4-Cyclohexylthiosemicarbazono)methyl-phenol
CID 9729029
4-(4-Cyclohexylthiosemicarbazono)methyl-phenol
CID 135562887
Hydrazinecarbothioamide, N-bicyclo[2.2.1]hept-5-en-2-yl-2-[(2-hydroxyphenyl)methylene]-
CID 2803708
2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135510947
1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135676379

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (CID 135615600) is 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is O=C(N/N=C/c1ccccc1O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is CIGZYLJCFHDRNU-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h4-6,9-10,12,18H,1-3,7-8H2,(H2,16,17,19)/b15-10+.
What are the key properties of 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 261.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135615600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).