2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide

C16H26N4O2 — CID 111001371

IUPAC2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC(C)C(C)C
InChIInChI=1S/C16H26N4O2/c1-5-17-16(19-12(4)11(2)3)18-10-15(22)20-13-6-8-14(21)9-7-13/h6-9,11-12,21H,5,10H2,1-4H3,(H,20,22)(H2,17,18,19)
InChIKeySXWNUVOSXMNYSZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.93
Rot. Bonds6

About 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide

2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide (PubChem CID 111001371) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
PubChem CID111001371
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC(C)C(C)C
InChIInChI=1S/C16H26N4O2/c1-5-17-16(19-12(4)11(2)3)18-10-15(22)20-13-6-8-14(21)9-7-13/h6-9,11-12,21H,5,10H2,1-4H3,(H,20,22)(H2,17,18,19)
InChIKeySXWNUVOSXMNYSZ-UHFFFAOYSA-N
XLogP1.93
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.93
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'}

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Related Compounds

2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111001350
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110965522
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111001379
2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111321929
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111402613
2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111310625
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
2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111999308
2-[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111224592
2-[[ethylamino-(2-thiophen-3-ylpropylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111988628
2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111256866

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide (CID 111001371) is 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide is CCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC(C)C(C)C.
What is the InChIKey of 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The InChIKey is SXWNUVOSXMNYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-17-16(19-12(4)11(2)3)18-10-15(22)20-13-6-8-14(21)9-7-13/h6-9,11-12,21H,5,10H2,1-4H3,(H,20,22)(H2,17,18,19).
What are the key properties of 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 111001371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).