1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea

C12H17N3O2 — CID 137261926

IUPAC1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
SMILESCCNC(=O)N/N=C/c1cc(C)c(O)c(C)c1
InChIInChI=1S/C12H17N3O2/c1-4-13-12(17)15-14-7-10-5-8(2)11(16)9(3)6-10/h5-7,16H,4H2,1-3H3,(H2,13,15,17)/b14-7+
InChIKeyPLNALVCVTZCPAO-VGOFMYFVSA-N
MW235.29 g/mol
LogP1.66
Rot. Bonds3

About 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea

1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea (PubChem CID 137261926) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
PubChem CID137261926
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
SMILESCCNC(=O)N/N=C/c1cc(C)c(O)c(C)c1
InChIInChI=1S/C12H17N3O2/c1-4-13-12(17)15-14-7-10-5-8(2)11(16)9(3)6-10/h5-7,16H,4H2,1-3H3,(H2,13,15,17)/b14-7+
InChIKeyPLNALVCVTZCPAO-VGOFMYFVSA-N
XLogP1.66
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.66
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'}

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Related Compounds

[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
1-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-prop-2-enylthiourea
CID 135731072
2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135788625
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
1-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-ethylthiourea
CID 135625883
methyl 6-[[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]carbamothioylamino]hexanoate
CID 135788193
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 135719900
1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea
CID 54299354
2-bromo-N-[2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4216043
N'-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135788584

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea?
The IUPAC name of 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea (CID 137261926) is 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea.
What is the SMILES notation for 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea?
The canonical SMILES for 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea is CCNC(=O)N/N=C/c1cc(C)c(O)c(C)c1.
What is the InChIKey of 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea?
The InChIKey is PLNALVCVTZCPAO-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-13-12(17)15-14-7-10-5-8(2)11(16)9(3)6-10/h5-7,16H,4H2,1-3H3,(H2,13,15,17)/b14-7+.
What are the key properties of 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea?
1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea has a molecular weight of 235.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea is sourced from PubChem (CID 137261926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).