2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C24H34IN5O2 — CID 110053421

IUPAC2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccco1)N1CCN(C/C=C/c2ccccc2)CC1.I
InChIInChI=1S/C24H33N5O2.HI/c1-27(2)23(30)20-26-24(25-13-12-22-11-7-19-31-22)29-17-15-28(16-18-29)14-6-10-21-8-4-3-5-9-21;/h3-11,19H,12-18,20H2,1-2H3,(H,25,26);1H/b10-6+;
InChIKeyMOLIYFTZRLMHQH-AAGWESIMSA-N
MW551.47 g/mol
LogP2.80
Rot. Bonds8

About 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110053421) has the molecular formula C24H34IN5O2 and a molecular weight of 551.47 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110053421
Molecular FormulaC24H34IN5O2
Molecular Weight551.47 g/mol
Exact Mass551.18
IUPAC Name2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccco1)N1CCN(C/C=C/c2ccccc2)CC1.I
InChIInChI=1S/C24H33N5O2.HI/c1-27(2)23(30)20-26-24(25-13-12-22-11-7-19-31-22)29-17-15-28(16-18-29)14-6-10-21-8-4-3-5-9-21;/h3-11,19H,12-18,20H2,1-2H3,(H,25,26);1H/b10-6+;
InChIKeyMOLIYFTZRLMHQH-AAGWESIMSA-N
XLogP2.80
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide 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

N-[2-(furan-2-yl)ethyl]-N'-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide;hydroiodide
CID 111218338
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-[[(butan-2-ylamino)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037506
2-[[[2-(furan-2-yl)ethylamino]-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110053818
2-[[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110053630
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
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111539273
2-[[[2-(furan-2-yl)ethylamino]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111548686
N-ethyl-2-[[ethylamino-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methylidene]amino]acetamide
CID 111218433

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110053421) is 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CN(C)C(=O)C/N=C(\NCCc1ccco1)N1CCN(C/C=C/c2ccccc2)CC1.I.
What is the InChIKey of 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is MOLIYFTZRLMHQH-AAGWESIMSA-N. The full InChI is InChI=1S/C24H33N5O2.HI/c1-27(2)23(30)20-26-24(25-13-12-22-11-7-19-31-22)29-17-15-28(16-18-29)14-6-10-21-8-4-3-5-9-21;/h3-11,19H,12-18,20H2,1-2H3,(H,25,26);1H/b10-6+;.
What are the key properties of 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 551.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110053421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).