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

C22H32N4O2 — CID 111360323

IUPAC1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1C)NCC(c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C22H32N4O2/c1-4-23-22(24-15-19-8-6-5-7-17(19)2)25-16-20(21-10-9-18(3)28-21)26-11-13-27-14-12-26/h5-10,20H,4,11-16H2,1-3H3,(H2,23,24,25)
InChIKeyZOPPNQODDSNKFT-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.03
Rot. Bonds7

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

1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine (PubChem CID 111360323) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine
PubChem CID111360323
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1C)NCC(c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C22H32N4O2/c1-4-23-22(24-15-19-8-6-5-7-17(19)2)25-16-20(21-10-9-18(3)28-21)26-11-13-27-14-12-26/h5-10,20H,4,11-16H2,1-3H3,(H2,23,24,25)
InChIKeyZOPPNQODDSNKFT-UHFFFAOYSA-N
XLogP3.03
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.03
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-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111901348
1-ethyl-3-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111850707
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111362507
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111662099
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-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111216037
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111662098
1-(2-ethylbutyl)-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111890832
1-ethyl-3-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178337
2-methyl-1-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359988
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199167
2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134062

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine (CID 111360323) is 1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine is CCN/C(=N\Cc1ccccc1C)NCC(c1ccc(C)o1)N1CCOCC1.
What is the InChIKey of 1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine?
The InChIKey is ZOPPNQODDSNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-4-23-22(24-15-19-8-6-5-7-17(19)2)25-16-20(21-10-9-18(3)28-21)26-11-13-27-14-12-26/h5-10,20H,4,11-16H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine?
1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine has a molecular weight of 384.52 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine is sourced from PubChem (CID 111360323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).