N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide

C20H33N3O3 — CID 111745721

IUPACN-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCOc1cccc(C)c1)N1CCC(COCCOC)C1
InChIInChI=1S/C20H33N3O3/c1-4-21-20(22-9-11-26-19-7-5-6-17(2)14-19)23-10-8-18(15-23)16-25-13-12-24-3/h5-7,14,18H,4,8-13,15-16H2,1-3H3,(H,21,22)
InChIKeyFQBVPMCWSQAHJI-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.32
Rot. Bonds10

About N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide

N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 111745721) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide
PubChem CID111745721
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCOc1cccc(C)c1)N1CCC(COCCOC)C1
InChIInChI=1S/C20H33N3O3/c1-4-21-20(22-9-11-26-19-7-5-6-17(2)14-19)23-10-8-18(15-23)16-25-13-12-24-3/h5-7,14,18H,4,8-13,15-16H2,1-3H3,(H,21,22)
InChIKeyFQBVPMCWSQAHJI-UHFFFAOYSA-N
XLogP2.32
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-tert-butylphenoxy)ethyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111747097
N-ethyl-N'-[3-(4-fluorophenoxy)propyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111748544
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(2-phenylethyl)pyrrolidine-1-carboximidamide
CID 111746227
N'-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111748498
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111747795
N'-[(2,4-dimethylphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748587
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[3-(methoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111745845
N'-[2-(3,5-dichlorophenyl)ethyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111748562
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747794
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526110
N'-[2-(3,5-difluorophenyl)ethyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111746671
N-ethyl-3-(methoxymethyl)-N'-(3-phenoxypropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide (CID 111745721) is N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CCOc1cccc(C)c1)N1CCC(COCCOC)C1.
What is the InChIKey of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is FQBVPMCWSQAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-4-21-20(22-9-11-26-19-7-5-6-17(2)14-19)23-10-8-18(15-23)16-25-13-12-24-3/h5-7,14,18H,4,8-13,15-16H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide?
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 363.50 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111745721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).