N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide

C22H32F3IN4O2 — CID 110050053

IUPACN,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCCO1)N1CCC(c2cccc(C(F)(F)F)c2)C1.I
InChIInChI=1S/C22H31F3N4O2.HI/c1-28(2)20(30)14-27-21(26-13-19-8-3-4-11-31-19)29-10-9-17(15-29)16-6-5-7-18(12-16)22(23,24)25;/h5-7,12,17,19H,3-4,8-11,13-15H2,1-2H3,(H,26,27);1H
InChIKeyYIWVHEWPAHQJIK-UHFFFAOYSA-N
MW568.42 g/mol
LogP3.72
Rot. Bonds5

About N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide (PubChem CID 110050053) has the molecular formula C22H32F3IN4O2 and a molecular weight of 568.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
PubChem CID110050053
Molecular FormulaC22H32F3IN4O2
Molecular Weight568.42 g/mol
Exact Mass568.15
IUPAC NameN,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCCO1)N1CCC(c2cccc(C(F)(F)F)c2)C1.I
InChIInChI=1S/C22H31F3N4O2.HI/c1-28(2)20(30)14-27-21(26-13-19-8-3-4-11-31-19)29-10-9-17(15-29)16-6-5-7-18(12-16)22(23,24)25;/h5-7,12,17,19H,3-4,8-11,13-15H2,1-2H3,(H,26,27);1H
InChIKeyYIWVHEWPAHQJIK-UHFFFAOYSA-N
XLogP3.72
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.42
LogP ≤ 53.72
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'}

Analyze N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;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,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide
CID 110050070
N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110044338
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-pyrrolidin-1-ylmethylidene]amino]acetamide;hydroiodide
CID 111546444
2-[[(3,4-dimethylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049451
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 110041851
2-[[3,4-dihydro-1H-isoquinolin-2-yl-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545573
2-[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111541389
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110040694
2-[[(4-benzylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111538791
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 110043510
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methylidene]amino]acetamide
CID 110042044
2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044132

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide (CID 110050053) is N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide is CN(C)C(=O)C/N=C(\NCC1CCCCO1)N1CCC(c2cccc(C(F)(F)F)c2)C1.I.
What is the InChIKey of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide?
The InChIKey is YIWVHEWPAHQJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N4O2.HI/c1-28(2)20(30)14-27-21(26-13-19-8-3-4-11-31-19)29-10-9-17(15-29)16-6-5-7-18(12-16)22(23,24)25;/h5-7,12,17,19H,3-4,8-11,13-15H2,1-2H3,(H,26,27);1H.
What are the key properties of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide has a molecular weight of 568.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110050053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).