1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine

C23H34N4O4 — CID 111542106

IUPAC1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCOCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCCc1ccco1
InChIInChI=1S/C23H34N4O4/c1-28-15-11-25-23(24-10-9-21-4-3-14-31-21)26-18-22(27-12-16-30-17-13-27)19-5-7-20(29-2)8-6-19/h3-8,14,22H,9-13,15-18H2,1-2H3,(H2,24,25,26)
InChIKeyXOWUKESTMLFHMZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.09
Rot. Bonds11

About 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine

1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 111542106) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
PubChem CID111542106
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCOCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCCc1ccco1
InChIInChI=1S/C23H34N4O4/c1-28-15-11-25-23(24-10-9-21-4-3-14-31-21)26-18-22(27-12-16-30-17-13-27)19-5-7-20(29-2)8-6-19/h3-8,14,22H,9-13,15-18H2,1-2H3,(H2,24,25,26)
InChIKeyXOWUKESTMLFHMZ-UHFFFAOYSA-N
XLogP2.09
TPSA80.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111541908
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)guanidine
CID 111542132
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111356299
N-[2-[[N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111309666
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111964782
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111778609
1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111604771
1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-phenylethyl)-3-(2-methoxyethyl)guanidine
CID 111981615
1-[3-(furan-2-ylmethoxy)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111309649
1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111604770
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941467

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine (CID 111542106) is 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine is COCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is XOWUKESTMLFHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-28-15-11-25-23(24-10-9-21-4-3-14-31-21)26-18-22(27-12-16-30-17-13-27)19-5-7-20(29-2)8-6-19/h3-8,14,22H,9-13,15-18H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 430.55 g/mol, XLogP of 2.09, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 111542106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).