3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide

C18H25IN4O2 — CID 111058475

IUPAC3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
SMILESCN(C)C(=NCc1cccc(C(=O)NCc2ccco2)c1)N(C)C.I
InChIInChI=1S/C18H24N4O2.HI/c1-21(2)18(22(3)4)20-12-14-7-5-8-15(11-14)17(23)19-13-16-9-6-10-24-16;/h5-11H,12-13H2,1-4H3,(H,19,23);1H
InChIKeyKUXPQBFNWOKZOL-UHFFFAOYSA-N
MW456.33 g/mol
LogP2.81
Rot. Bonds5

About 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide

3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide (PubChem CID 111058475) has the molecular formula C18H25IN4O2 and a molecular weight of 456.33 g/mol. Its IUPAC name is 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide.

Molecular Properties

Compound Name3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
PubChem CID111058475
Molecular FormulaC18H25IN4O2
Molecular Weight456.33 g/mol
Exact Mass456.10
IUPAC Name3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
SMILESCN(C)C(=NCc1cccc(C(=O)NCc2ccco2)c1)N(C)C.I
InChIInChI=1S/C18H24N4O2.HI/c1-21(2)18(22(3)4)20-12-14-7-5-8-15(11-14)17(23)19-13-16-9-6-10-24-16;/h5-11H,12-13H2,1-4H3,(H,19,23);1H
InChIKeyKUXPQBFNWOKZOL-UHFFFAOYSA-N
XLogP2.81
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-3-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110937719
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111058452
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
CID 111058827
3-[[[ethylamino-(2-methoxyethylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110939930
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
3-[[[N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111872893
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111035911
3-[[[ethylamino-[(5-methylthiophen-2-yl)methylamino]methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111898142
3-[[[ethylamino-[(4-methoxyphenyl)methylamino]methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111181802

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide?
The IUPAC name of 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide (CID 111058475) is 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide.
What is the SMILES notation for 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide?
The canonical SMILES for 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide is CN(C)C(=NCc1cccc(C(=O)NCc2ccco2)c1)N(C)C.I.
What is the InChIKey of 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide?
The InChIKey is KUXPQBFNWOKZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.HI/c1-21(2)18(22(3)4)20-12-14-7-5-8-15(11-14)17(23)19-13-16-9-6-10-24-16;/h5-11H,12-13H2,1-4H3,(H,19,23);1H.
What are the key properties of 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide?
3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide has a molecular weight of 456.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide is sourced from PubChem (CID 111058475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).