1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine

C24H33N5O2 — CID 110997165

IUPAC1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H33N5O2/c1-3-25-24(26-11-10-19-16-27-21-7-5-4-6-20(19)21)28-17-22(23-9-8-18(2)31-23)29-12-14-30-15-13-29/h4-9,16,22,27H,3,10-15,17H2,1-2H3,(H2,25,26,28)
InChIKeyVQFWDBUICIFVGZ-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.24
Rot. Bonds8

About 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine

1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 110997165) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
PubChem CID110997165
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H33N5O2/c1-3-25-24(26-11-10-19-16-27-21-7-5-4-6-20(19)21)28-17-22(23-9-8-18(2)31-23)29-12-14-30-15-13-29/h4-9,16,22,27H,3,10-15,17H2,1-2H3,(H2,25,26,28)
InChIKeyVQFWDBUICIFVGZ-UHFFFAOYSA-N
XLogP3.24
TPSA77.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.24
H-Bond Donors ≤ 53
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-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111362507
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110997162
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111340262
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199167
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110996346
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111833929
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111693716
1-(4-ethoxybutyl)-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111946142
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111718374
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972438
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110997385
1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110927951

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine (CID 110997165) is 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine is CCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is VQFWDBUICIFVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-3-25-24(26-11-10-19-16-27-21-7-5-4-6-20(19)21)28-17-22(23-9-8-18(2)31-23)29-12-14-30-15-13-29/h4-9,16,22,27H,3,10-15,17H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 423.56 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 110997165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).