N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

C25H35IN4O2 — CID 111723694

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(c1ccc(OC)cc1)N1CCOCC1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C25H34N4O2.HI/c1-26-25(29-13-12-22(19-29)20-6-4-3-5-7-20)27-18-24(28-14-16-31-17-15-28)21-8-10-23(30-2)11-9-21;/h3-11,22,24H,12-19H2,1-2H3,(H,26,27);1H
InChIKeyLXFZAFHLLYCWBP-UHFFFAOYSA-N
MW550.49 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111723694) has the molecular formula C25H35IN4O2 and a molecular weight of 550.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111723694
Molecular FormulaC25H35IN4O2
Molecular Weight550.49 g/mol
Exact Mass550.18
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(c1ccc(OC)cc1)N1CCOCC1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C25H34N4O2.HI/c1-26-25(29-13-12-22(19-29)20-6-4-3-5-7-20)27-18-24(28-14-16-31-17-15-28)21-8-10-23(30-2)11-9-21;/h3-11,22,24H,12-19H2,1-2H3,(H,26,27);1H
InChIKeyLXFZAFHLLYCWBP-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.49
LogP ≤ 53.75
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'}

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Related Compounds

N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722762
N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724076
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961570
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724066
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947179
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442178
ethyl 1-[N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155235
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526019
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111310093
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111309497
N-(2-ethylbutyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111994700
3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111731772

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (CID 111723694) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCC(c1ccc(OC)cc1)N1CCOCC1)N1CCC(c2ccccc2)C1.I.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is LXFZAFHLLYCWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2.HI/c1-26-25(29-13-12-22(19-29)20-6-4-3-5-7-20)27-18-24(28-14-16-31-17-15-28)21-8-10-23(30-2)11-9-21;/h3-11,22,24H,12-19H2,1-2H3,(H,26,27);1H.
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 550.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111723694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).