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

C16H21IN4O3 — CID 110937867

IUPAC2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NCc1ccco1.I
InChIInChI=1S/C16H20N4O3.HI/c1-2-17-16(18-10-14-4-3-9-23-14)19-11-15(22)20-12-5-7-13(21)8-6-12;/h3-9,21H,2,10-11H2,1H3,(H,20,22)(H2,17,18,19);1H
InChIKeySYBDHAFAURUMEG-UHFFFAOYSA-N
MW444.27 g/mol
LogP2.30
Rot. Bonds6

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

2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (PubChem CID 110937867) has the molecular formula C16H21IN4O3 and a molecular weight of 444.27 g/mol. Its IUPAC name is 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
PubChem CID110937867
Molecular FormulaC16H21IN4O3
Molecular Weight444.27 g/mol
Exact Mass444.07
IUPAC Name2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NCc1ccco1.I
InChIInChI=1S/C16H20N4O3.HI/c1-2-17-16(18-10-14-4-3-9-23-14)19-11-15(22)20-12-5-7-13(21)8-6-12;/h3-9,21H,2,10-11H2,1H3,(H,20,22)(H2,17,18,19);1H
InChIKeySYBDHAFAURUMEG-UHFFFAOYSA-N
XLogP2.30
TPSA98.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide 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

2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110937849
2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111398916
2-[[ethylamino-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111674749
2-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111942488
N-[4-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110937518
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
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-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111127674
2-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111354256
N-[3-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 110938639
N-[3-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]phenyl]-3-methylbutanamide
CID 110939018

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (CID 110937867) is 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1ccc(O)cc1)NCc1ccco1.I.
What is the InChIKey of 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The InChIKey is SYBDHAFAURUMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.HI/c1-2-17-16(18-10-14-4-3-9-23-14)19-11-15(22)20-12-5-7-13(21)8-6-12;/h3-9,21H,2,10-11H2,1H3,(H,20,22)(H2,17,18,19);1H.
What are the key properties of 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide has a molecular weight of 444.27 g/mol, XLogP of 2.30, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is sourced from PubChem (CID 110937867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).