N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide

C24H40N4O3 — CID 111746631

IUPACN-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccccc1OC)N1CCCC1)N1CCC(COCCOC)C1
InChIInChI=1S/C24H40N4O3/c1-4-25-24(28-14-11-20(18-28)19-31-16-15-29-2)26-17-22(27-12-7-8-13-27)21-9-5-6-10-23(21)30-3/h5-6,9-10,20,22H,4,7-8,11-19H2,1-3H3,(H,25,26)
InChIKeyPDHOIRKZOSXKIK-UHFFFAOYSA-N
MW432.61 g/mol
LogP2.78
Rot. Bonds11

About N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide

N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide (PubChem CID 111746631) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide
PubChem CID111746631
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC NameN-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccccc1OC)N1CCCC1)N1CCC(COCCOC)C1
InChIInChI=1S/C24H40N4O3/c1-4-25-24(28-14-11-20(18-28)19-31-16-15-29-2)26-17-22(27-12-7-8-13-27)21-9-5-6-10-23(21)30-3/h5-6,9-10,20,22H,4,7-8,11-19H2,1-3H3,(H,25,26)
InChIKeyPDHOIRKZOSXKIK-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 1-[N-ethyl-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111255178
4-ethoxy-N-ethyl-N'-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide
CID 111959171
4-ethoxy-N-ethyl-N'-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959170
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(N-methylanilino)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745834
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111746252
N'-[(2-ethoxyphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111747356
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(2-phenylethyl)pyrrolidine-1-carboximidamide
CID 111746227
N'-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111746112
N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111746635
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111746658
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111737910
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide (CID 111746631) is N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CC(c1ccccc1OC)N1CCCC1)N1CCC(COCCOC)C1.
What is the InChIKey of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide?
The InChIKey is PDHOIRKZOSXKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-4-25-24(28-14-11-20(18-28)19-31-16-15-29-2)26-17-22(27-12-7-8-13-27)21-9-5-6-10-23(21)30-3/h5-6,9-10,20,22H,4,7-8,11-19H2,1-3H3,(H,25,26).
What are the key properties of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide?
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide has a molecular weight of 432.61 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111746631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).