2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide

C18H29IN4O2 — CID 111256866

IUPAC2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC1CCC(C)CC1.I
InChIInChI=1S/C18H28N4O2.HI/c1-3-19-18(22-15-6-4-13(2)5-7-15)20-12-17(24)21-14-8-10-16(23)11-9-14;/h8-11,13,15,23H,3-7,12H2,1-2H3,(H,21,24)(H2,19,20,22);1H
InChIKeyQHOUOJRJEYHHMG-UHFFFAOYSA-N
MW460.36 g/mol
LogP3.08
Rot. Bonds5

About 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide

2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (PubChem CID 111256866) has the molecular formula C18H29IN4O2 and a molecular weight of 460.36 g/mol. Its IUPAC name is 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
PubChem CID111256866
Molecular FormulaC18H29IN4O2
Molecular Weight460.36 g/mol
Exact Mass460.13
IUPAC Name2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC1CCC(C)CC1.I
InChIInChI=1S/C18H28N4O2.HI/c1-3-19-18(22-15-6-4-13(2)5-7-15)20-12-17(24)21-14-8-10-16(23)11-9-14;/h8-11,13,15,23H,3-7,12H2,1-2H3,(H,21,24)(H2,19,20,22);1H
InChIKeyQHOUOJRJEYHHMG-UHFFFAOYSA-N
XLogP3.08
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111997273
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110965522
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111001371
2-[[ethylamino-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111995591
2-[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111224592
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 110937867
tert-butyl 3-[[N-ethyl-N'-[2-(4-fluoroanilino)-2-oxoethyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109466096
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111402612
2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111985793

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (CID 111256866) is 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC1CCC(C)CC1.I.
What is the InChIKey of 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The InChIKey is QHOUOJRJEYHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.HI/c1-3-19-18(22-15-6-4-13(2)5-7-15)20-12-17(24)21-14-8-10-16(23)11-9-14;/h8-11,13,15,23H,3-7,12H2,1-2H3,(H,21,24)(H2,19,20,22);1H.
What are the key properties of 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide has a molecular weight of 460.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is sourced from PubChem (CID 111256866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).