[1-(4-hydroxy-3-methylphenyl)propylideneamino]urea

C11H15N3O2 — CID 4087123

IUPAC[1-(4-hydroxy-3-methylphenyl)propylideneamino]urea
SMILESCCC(=NNC(N)=O)c1ccc(O)c(C)c1
InChIInChI=1S/C11H15N3O2/c1-3-9(13-14-11(12)16)8-4-5-10(15)7(2)6-8/h4-6,15H,3H2,1-2H3,(H3,12,14,16)
InChIKeyRAJOSARFRPZPHL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.48
Rot. Bonds3

About [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea

[1-(4-hydroxy-3-methylphenyl)propylideneamino]urea (PubChem CID 4087123) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea.

Molecular Properties

Compound Name[1-(4-hydroxy-3-methylphenyl)propylideneamino]urea
PubChem CID4087123
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[1-(4-hydroxy-3-methylphenyl)propylideneamino]urea
SMILESCCC(=NNC(N)=O)c1ccc(O)c(C)c1
InChIInChI=1S/C11H15N3O2/c1-3-9(13-14-11(12)16)8-4-5-10(15)7(2)6-8/h4-6,15H,3H2,1-2H3,(H3,12,14,16)
InChIKeyRAJOSARFRPZPHL-UHFFFAOYSA-N
XLogP1.48
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze [1-(4-hydroxy-3-methylphenyl)propylideneamino]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

[1-(4-amino-3-methylphenyl)propylideneamino]urea
CID 130155098
[(Z)-1-(2-methylphenyl)propylideneamino]urea
CID 121218183
N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
CID 4645851
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
4-[(E)-C-ethyl-N-(4-nitroanilino)carbonimidoyl]-2-methylphenol
CID 135683117
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
CID 7612689
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
[(Z)-1-(4-methylphenyl)dodecylideneamino]urea
CID 6056563
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea?
The IUPAC name of [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea (CID 4087123) is [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea.
What is the SMILES notation for [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea?
The canonical SMILES for [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea is CCC(=NNC(N)=O)c1ccc(O)c(C)c1.
What is the InChIKey of [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea?
The InChIKey is RAJOSARFRPZPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-9(13-14-11(12)16)8-4-5-10(15)7(2)6-8/h4-6,15H,3H2,1-2H3,(H3,12,14,16).
What are the key properties of [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea?
[1-(4-hydroxy-3-methylphenyl)propylideneamino]urea has a molecular weight of 221.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxy-3-methylphenyl)propylideneamino]urea is sourced from PubChem (CID 4087123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).