1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine

C23H34N4O2 — CID 110059160

IUPAC1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine
SMILESCOc1ccc(C/N=C(\NCCc2ccco2)NC2CN(C(C)C)CC2C)cc1
InChIInChI=1S/C23H34N4O2/c1-17(2)27-15-18(3)22(16-27)26-23(24-12-11-21-6-5-13-29-21)25-14-19-7-9-20(28-4)10-8-19/h5-10,13,17-18,22H,11-12,14-16H2,1-4H3,(H2,24,25,26)
InChIKeyUUFDWCAKRJSRNZ-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.29
Rot. Bonds8

About 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine

1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine (PubChem CID 110059160) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine
PubChem CID110059160
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine
SMILESCOc1ccc(C/N=C(\NCCc2ccco2)NC2CN(C(C)C)CC2C)cc1
InChIInChI=1S/C23H34N4O2/c1-17(2)27-15-18(3)22(16-27)26-23(24-12-11-21-6-5-13-29-21)25-14-19-7-9-20(28-4)10-8-19/h5-10,13,17-18,22H,11-12,14-16H2,1-4H3,(H2,24,25,26)
InChIKeyUUFDWCAKRJSRNZ-UHFFFAOYSA-N
XLogP3.29
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[2-(furan-2-yl)ethyl]-3-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 111491358
1-[2-(furan-2-yl)ethyl]-2,3-bis[(4-methoxyphenyl)methyl]guanidine
CID 111768977
1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111763842
1-(1-cyclopropyl-2-methoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 110060700
1-[2-(furan-2-yl)ethyl]-3-(4-methoxybutyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 111842082
1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 110055590
1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine
CID 110060946
2-[2-(furan-2-yl)ethyl]-1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-3-prop-2-enylguanidine;hydroiodide
CID 136727147
1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111181726
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111540305
1-[5-(diethylamino)pentan-2-yl]-3-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111761272
N-[2-(furan-2-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111493012

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine (CID 110059160) is 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine is COc1ccc(C/N=C(\NCCc2ccco2)NC2CN(C(C)C)CC2C)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine?
The InChIKey is UUFDWCAKRJSRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-17(2)27-15-18(3)22(16-27)26-23(24-12-11-21-6-5-13-29-21)25-14-19-7-9-20(28-4)10-8-19/h5-10,13,17-18,22H,11-12,14-16H2,1-4H3,(H2,24,25,26).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine?
1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine has a molecular weight of 398.55 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine is sourced from PubChem (CID 110059160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).