N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide

C16H21IN4O2 — CID 111042802

IUPACN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCNC(=O)c2ccco2)cc1.I
InChIInChI=1S/C16H20N4O2.HI/c1-2-12-5-7-13(8-6-12)20-16(17)19-10-9-18-15(21)14-4-3-11-22-14;/h3-8,11H,2,9-10H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyQNYBTBFECNWCRI-UHFFFAOYSA-N
MW428.27 g/mol
LogP2.62
Rot. Bonds6

About N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide

N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide (PubChem CID 111042802) has the molecular formula C16H21IN4O2 and a molecular weight of 428.27 g/mol. Its IUPAC name is N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
PubChem CID111042802
Molecular FormulaC16H21IN4O2
Molecular Weight428.27 g/mol
Exact Mass428.07
IUPAC NameN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCNC(=O)c2ccco2)cc1.I
InChIInChI=1S/C16H20N4O2.HI/c1-2-12-5-7-13(8-6-12)20-16(17)19-10-9-18-15(21)14-4-3-11-22-14;/h3-8,11H,2,9-10H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyQNYBTBFECNWCRI-UHFFFAOYSA-N
XLogP2.62
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042762
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042765
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042777
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042782
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111720888
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 111031068
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide (CID 111042802) is N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide is CCc1ccc(N/C(N)=N/CCNC(=O)c2ccco2)cc1.I.
What is the InChIKey of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The InChIKey is QNYBTBFECNWCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.HI/c1-2-12-5-7-13(8-6-12)20-16(17)19-10-9-18-15(21)14-4-3-11-22-14;/h3-8,11H,2,9-10H2,1H3,(H,18,21)(H3,17,19,20);1H.
What are the key properties of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide has a molecular weight of 428.27 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111042802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).