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

C22H29N5O2 — CID 111907417

IUPAC2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCc1[nH]c2ccccc2c1CCN/C(=N/CC(=O)N(C)C)NCCc1ccco1
InChIInChI=1S/C22H29N5O2/c1-16-18(19-8-4-5-9-20(19)26-16)11-13-24-22(25-15-21(28)27(2)3)23-12-10-17-7-6-14-29-17/h4-9,14,26H,10-13,15H2,1-3H3,(H2,23,24,25)
InChIKeyBWZWTVKFRUIXGN-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.48
Rot. Bonds8

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

2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111907417) 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-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111907417
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCc1[nH]c2ccccc2c1CCN/C(=N/CC(=O)N(C)C)NCCc1ccco1
InChIInChI=1S/C22H29N5O2/c1-16-18(19-8-4-5-9-20(19)26-16)11-13-24-22(25-15-21(28)27(2)3)23-12-10-17-7-6-14-29-17/h4-9,14,26H,10-13,15H2,1-3H3,(H2,23,24,25)
InChIKeyBWZWTVKFRUIXGN-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': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751507
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751506
2-[[[2-(furan-2-yl)ethylamino]-(3-phenylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111903603
2-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969
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-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111907587
2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035849
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842330
2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491226
1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 86882986
2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906990
2-[[[2-(furan-2-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545758

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (CID 111907417) is 2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is Cc1[nH]c2ccccc2c1CCN/C(=N/CC(=O)N(C)C)NCCc1ccco1.
What is the InChIKey of 2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is BWZWTVKFRUIXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-18(19-8-4-5-9-20(19)26-16)11-13-24-22(25-15-21(28)27(2)3)23-12-10-17-7-6-14-29-17/h4-9,14,26H,10-13,15H2,1-3H3,(H2,23,24,25).
What are the key properties of 2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(furan-2-yl)ethylamino]-[2-(2-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-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111907417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).