N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide

C20H32N4O3 — CID 110933783

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC(c1ccc(OC)c(OC)c1)N1CCOCC1)N1CCCC1
InChIInChI=1S/C20H32N4O3/c1-21-20(24-8-4-5-9-24)22-15-17(23-10-12-27-13-11-23)16-6-7-18(25-2)19(14-16)26-3/h6-7,14,17H,4-5,8-13,15H2,1-3H3,(H,21,22)
InChIKeyWYQVDWISNSYNGZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 110933783) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
PubChem CID110933783
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC(c1ccc(OC)c(OC)c1)N1CCOCC1)N1CCCC1
InChIInChI=1S/C20H32N4O3/c1-21-20(24-8-4-5-9-24)22-15-17(23-10-12-27-13-11-23)16-6-7-18(25-2)19(14-16)26-3/h6-7,14,17H,4-5,8-13,15H2,1-3H3,(H,21,22)
InChIKeyWYQVDWISNSYNGZ-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211600
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111313005
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111313025
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111312923
1-[2-(tert-butylamino)ethyl]-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111765359
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 111967441
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111162126
3-[[N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111312882
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-ethylsulfonylethyl)-2-methylguanidine;hydroiodide
CID 111312805
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111230281
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318567

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide (CID 110933783) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NCC(c1ccc(OC)c(OC)c1)N1CCOCC1)N1CCCC1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is WYQVDWISNSYNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-21-20(24-8-4-5-9-24)22-15-17(23-10-12-27-13-11-23)16-6-7-18(25-2)19(14-16)26-3/h6-7,14,17H,4-5,8-13,15H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 376.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110933783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).