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

C20H27IN4O3 — CID 111989258

IUPAC2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NCCOCc1ccccc1.I
InChIInChI=1S/C20H26N4O3.HI/c1-2-21-20(22-12-13-27-15-16-6-4-3-5-7-16)23-14-19(26)24-17-8-10-18(25)11-9-17;/h3-11,25H,2,12-15H2,1H3,(H,24,26)(H2,21,22,23);1H
InChIKeyNAVIJDPXWBUXJK-UHFFFAOYSA-N
MW498.37 g/mol
LogP2.72
Rot. Bonds9

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

2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (PubChem CID 111989258) has the molecular formula C20H27IN4O3 and a molecular weight of 498.37 g/mol. Its IUPAC name is 2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
PubChem CID111989258
Molecular FormulaC20H27IN4O3
Molecular Weight498.37 g/mol
Exact Mass498.11
IUPAC Name2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NCCOCc1ccccc1.I
InChIInChI=1S/C20H26N4O3.HI/c1-2-21-20(22-12-13-27-15-16-6-4-3-5-7-16)23-14-19(26)24-17-8-10-18(25)11-9-17;/h3-11,25H,2,12-15H2,1H3,(H,24,26)(H2,21,22,23);1H
InChIKeyNAVIJDPXWBUXJK-UHFFFAOYSA-N
XLogP2.72
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111224592
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111402612
2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111895698
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111402613
2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine
CID 111963897
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110965522
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110977936
2-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111576020
2-[[ethylamino-[2-(3-methoxy-4-methylphenyl)ethylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111985306
2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111985793
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 109473614
1-ethyl-2-(3-methylbutyl)-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111963968

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (CID 111989258) is 2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1ccc(O)cc1)NCCOCc1ccccc1.I.
What is the InChIKey of 2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The InChIKey is NAVIJDPXWBUXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3.HI/c1-2-21-20(22-12-13-27-15-16-6-4-3-5-7-16)23-14-19(26)24-17-8-10-18(25)11-9-17;/h3-11,25H,2,12-15H2,1H3,(H,24,26)(H2,21,22,23);1H.
What are the key properties of 2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide has a molecular weight of 498.37 g/mol, XLogP of 2.72, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is sourced from PubChem (CID 111989258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).