2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

C22H29N5O2 — CID 111907587

IUPAC2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCc1cccc2[nH]cc(CCN/C(=N/CC(=O)N(C)C)NCCc3ccco3)c12
InChIInChI=1S/C22H29N5O2/c1-16-6-4-8-19-21(16)17(14-25-19)9-11-23-22(26-15-20(28)27(2)3)24-12-10-18-7-5-13-29-18/h4-8,13-14,25H,9-12,15H2,1-3H3,(H2,23,24,26)
InChIKeyJQVGABGGZNUVAD-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.48
Rot. Bonds8

About 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111907587) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111907587
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCc1cccc2[nH]cc(CCN/C(=N/CC(=O)N(C)C)NCCc3ccco3)c12
InChIInChI=1S/C22H29N5O2/c1-16-6-4-8-19-21(16)17(14-25-19)9-11-23-22(26-15-20(28)27(2)3)24-12-10-18-7-5-13-29-18/h4-8,13-14,25H,9-12,15H2,1-3H3,(H2,23,24,26)
InChIKeyJQVGABGGZNUVAD-UHFFFAOYSA-N
XLogP2.48
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110050653
2-[[butylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365939
N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
CID 111862975
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111355594
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110938671
2-[[[2-(2-chlorophenyl)ethylamino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907536
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751507
2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111907417
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-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036181
2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035849

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (CID 111907587) is 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is Cc1cccc2[nH]cc(CCN/C(=N/CC(=O)N(C)C)NCCc3ccco3)c12.
What is the InChIKey of 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is JQVGABGGZNUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-6-4-8-19-21(16)17(14-25-19)9-11-23-22(26-15-20(28)27(2)3)24-12-10-18-7-5-13-29-18/h4-8,13-14,25H,9-12,15H2,1-3H3,(H2,23,24,26).
What are the key properties of 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 395.51 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111907587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).