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

C22H40N4O4 — CID 111693716

IUPAC1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCCCCOCCOCCN/C(=N/CC(c1ccc(C)o1)N1CCOCC1)NCC
InChIInChI=1S/C22H40N4O4/c1-4-6-12-27-16-17-28-13-9-24-22(23-5-2)25-18-20(21-8-7-19(3)30-21)26-10-14-29-15-11-26/h7-8,20H,4-6,9-18H2,1-3H3,(H2,23,24,25)
InChIKeyWHMLRCVYRZWWKA-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.35
Rot. Bonds14

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

1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 111693716) has the molecular formula C22H40N4O4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
PubChem CID111693716
Molecular FormulaC22H40N4O4
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC Name1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCCCCOCCOCCN/C(=N/CC(c1ccc(C)o1)N1CCOCC1)NCC
InChIInChI=1S/C22H40N4O4/c1-4-6-12-27-16-17-28-13-9-24-22(23-5-2)25-18-20(21-8-7-19(3)30-21)26-10-14-29-15-11-26/h7-8,20H,4-6,9-18H2,1-3H3,(H2,23,24,25)
InChIKeyWHMLRCVYRZWWKA-UHFFFAOYSA-N
XLogP2.35
TPSA80.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.35
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'}

Analyze 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxybutyl)-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111946142
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111399764
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 111693226
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199167
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-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111362507
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-pyrrolidin-1-ylethyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646390
1-cyclohexyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110959034
1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110927951
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147521

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine (CID 111693716) is 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine is CCCCOCCOCCN/C(=N/CC(c1ccc(C)o1)N1CCOCC1)NCC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is WHMLRCVYRZWWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O4/c1-4-6-12-27-16-17-28-13-9-24-22(23-5-2)25-18-20(21-8-7-19(3)30-21)26-10-14-29-15-11-26/h7-8,20H,4-6,9-18H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 424.59 g/mol, XLogP of 2.35, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 111693716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).