2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H25IN4O2 — CID 111548686

IUPAC2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccco1)N1CCc2ccccc21.I
InChIInChI=1S/C19H24N4O2.HI/c1-22(2)18(24)14-21-19(20-11-9-16-7-5-13-25-16)23-12-10-15-6-3-4-8-17(15)23;/h3-8,13H,9-12,14H2,1-2H3,(H,20,21);1H
InChIKeyPYJVBVQIPNBJTI-UHFFFAOYSA-N
MW468.34 g/mol
LogP2.54
Rot. Bonds5

About 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111548686) has the molecular formula C19H25IN4O2 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111548686
Molecular FormulaC19H25IN4O2
Molecular Weight468.34 g/mol
Exact Mass468.10
IUPAC Name2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccco1)N1CCc2ccccc21.I
InChIInChI=1S/C19H24N4O2.HI/c1-22(2)18(24)14-21-19(20-11-9-16-7-5-13-25-16)23-12-10-15-6-3-4-8-17(15)23;/h3-8,13H,9-12,14H2,1-2H3,(H,20,21);1H
InChIKeyPYJVBVQIPNBJTI-UHFFFAOYSA-N
XLogP2.54
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 52.54
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

2-[[[2-(furan-2-yl)ethylamino]-piperidin-1-ylmethylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053887
2-[[[4-(2-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053311
2-[[(3,5-dimethylpiperidin-1-yl)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110053316
2-[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053439
N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984233
2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119116488
2-[[[2-(furan-2-yl)ethylamino]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 136926135
2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053421
2-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751506
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751507

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111548686) is 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CN(C)C(=O)C/N=C(\NCCc1ccco1)N1CCc2ccccc21.I.
What is the InChIKey of 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is PYJVBVQIPNBJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.HI/c1-22(2)18(24)14-21-19(20-11-9-16-7-5-13-25-16)23-12-10-15-6-3-4-8-17(15)23;/h3-8,13H,9-12,14H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 468.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111548686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).