1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C22H40N4O3 — CID 111353432

IUPAC1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCOCCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCc1ccco1
InChIInChI=1S/C22H40N4O3/c1-4-27-13-6-9-23-22(24-10-8-21-7-5-14-29-21)25-18-20(17-19(2)3)26-11-15-28-16-12-26/h5,7,14,19-20H,4,6,8-13,15-18H2,1-3H3,(H2,23,24,25)
InChIKeyZGSPLOSZRQTKFV-UHFFFAOYSA-N
MW408.59 g/mol
LogP2.53
Rot. Bonds13

About 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 111353432) has the molecular formula C22H40N4O3 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID111353432
Molecular FormulaC22H40N4O3
Molecular Weight408.59 g/mol
Exact Mass408.31
IUPAC Name1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCOCCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCc1ccco1
InChIInChI=1S/C22H40N4O3/c1-4-27-13-6-9-23-22(24-10-8-21-7-5-14-29-21)25-18-20(17-19(2)3)26-11-15-28-16-12-26/h5,7,14,19-20H,4,6,8-13,15-18H2,1-3H3,(H2,23,24,25)
InChIKeyZGSPLOSZRQTKFV-UHFFFAOYSA-N
XLogP2.53
TPSA71.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111651778
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111008470
1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111777415
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine
CID 110978803
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111935158
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-[3-(oxolan-3-yloxy)propyl]guanidine
CID 110058984
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-piperidin-1-ylbutyl)guanidine
CID 110052134
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667553
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111399764
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110052133
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 110057616
1-butyl-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354955

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 111353432) is 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is CCOCCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCc1ccco1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is ZGSPLOSZRQTKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O3/c1-4-27-13-6-9-23-22(24-10-8-21-7-5-14-29-21)25-18-20(17-19(2)3)26-11-15-28-16-12-26/h5,7,14,19-20H,4,6,8-13,15-18H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 408.59 g/mol, XLogP of 2.53, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 111353432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).