N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide

C23H33N3O4 — CID 110056524

IUPACN-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
SMILESCOCCOCC1CCN(/C(=N/Cc2ccc(OC)cc2)NCCc2ccco2)C1
InChIInChI=1S/C23H33N3O4/c1-27-14-15-29-18-20-10-12-26(17-20)23(24-11-9-22-4-3-13-30-22)25-16-19-5-7-21(28-2)8-6-19/h3-8,13,20H,9-12,14-18H2,1-2H3,(H,24,25)
InChIKeyPVBGALHMNHRXOU-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.96
Rot. Bonds11

About N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 110056524) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
PubChem CID110056524
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
SMILESCOCCOCC1CCN(/C(=N/Cc2ccc(OC)cc2)NCCc2ccco2)C1
InChIInChI=1S/C23H33N3O4/c1-27-14-15-29-18-20-10-12-26(17-20)23(24-11-9-22-4-3-13-30-22)25-16-19-5-7-21(28-2)8-6-19/h3-8,13,20H,9-12,14-18H2,1-2H3,(H,24,25)
InChIKeyPVBGALHMNHRXOU-UHFFFAOYSA-N
XLogP2.96
TPSA68.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.96
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

N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 111747916
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111745777
N-[2-(furan-2-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111493012
N-[2-(furan-2-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056147
3-benzyl-N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 110054764
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111747885
3-(ethoxymethyl)-N-[2-(furan-2-yl)ethyl]-N'-(2-methylsulfanylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056643
N-[2-[[C-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide
CID 111746834
N'-butyl-N-[2-(furan-2-yl)ethyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111527492
N-ethyl-4-[[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111747539
N'-[(4-tert-butylphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111746116
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[3-(methoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111745845

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide (CID 110056524) is N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide is COCCOCC1CCN(/C(=N/Cc2ccc(OC)cc2)NCCc2ccco2)C1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is PVBGALHMNHRXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-27-14-15-29-18-20-10-12-26(17-20)23(24-11-9-22-4-3-13-30-22)25-16-19-5-7-21(28-2)8-6-19/h3-8,13,20H,9-12,14-18H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 415.53 g/mol, XLogP of 2.96, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110056524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).