N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide

C18H25IN4O2 — CID 111817723

IUPACN-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CCCNC(=O)c2occc2C)c1.I
InChIInChI=1S/C18H24N4O2.HI/c1-3-14-6-4-7-15(12-14)22-18(19)21-10-5-9-20-17(23)16-13(2)8-11-24-16;/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,20,23)(H3,19,21,22);1H
InChIKeyDMCZSAFLEXIGPI-UHFFFAOYSA-N
MW456.33 g/mol
LogP3.32
Rot. Bonds7

About N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide

N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide (PubChem CID 111817723) has the molecular formula C18H25IN4O2 and a molecular weight of 456.33 g/mol. Its IUPAC name is N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
PubChem CID111817723
Molecular FormulaC18H25IN4O2
Molecular Weight456.33 g/mol
Exact Mass456.10
IUPAC NameN-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CCCNC(=O)c2occc2C)c1.I
InChIInChI=1S/C18H24N4O2.HI/c1-3-14-6-4-7-15(12-14)22-18(19)21-10-5-9-20-17(23)16-13(2)8-11-24-16;/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,20,23)(H3,19,21,22);1H
InChIKeyDMCZSAFLEXIGPI-UHFFFAOYSA-N
XLogP3.32
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 53.32
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-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817790
N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817772
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 111043687
N-[3-[[amino-(2,5-diethoxyanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817816
N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817799
N-[3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817744
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111075611
N-[3-[[amino-(3-methylanilino)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094048
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
methyl 5-[[amino-(3-ethylanilino)methylidene]amino]pentanoate
CID 111086133
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111094994
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide?
The IUPAC name of N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide (CID 111817723) is N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide?
The canonical SMILES for N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide is CCc1cccc(N/C(N)=N/CCCNC(=O)c2occc2C)c1.I.
What is the InChIKey of N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide?
The InChIKey is DMCZSAFLEXIGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.HI/c1-3-14-6-4-7-15(12-14)22-18(19)21-10-5-9-20-17(23)16-13(2)8-11-24-16;/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,20,23)(H3,19,21,22);1H.
What are the key properties of N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide?
N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide has a molecular weight of 456.33 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide is sourced from PubChem (CID 111817723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).