1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine

C21H36N4O3 — CID 111658430

IUPAC1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine
SMILESCCN/C(=N\CC(C)(O)CN1CCOCC1)NCC(C)c1ccccc1OC
InChIInChI=1S/C21H36N4O3/c1-5-22-20(23-14-17(2)18-8-6-7-9-19(18)27-4)24-15-21(3,26)16-25-10-12-28-13-11-25/h6-9,17,26H,5,10-16H2,1-4H3,(H2,22,23,24)
InChIKeyYBVBSNPWEGTZQT-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.44
Rot. Bonds9

About 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine

1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine (PubChem CID 111658430) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine
PubChem CID111658430
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine
SMILESCCN/C(=N\CC(C)(O)CN1CCOCC1)NCC(C)c1ccccc1OC
InChIInChI=1S/C21H36N4O3/c1-5-22-20(23-14-17(2)18-8-6-7-9-19(18)27-4)24-15-21(3,26)16-25-10-12-28-13-11-25/h6-9,17,26H,5,10-16H2,1-4H3,(H2,22,23,24)
InChIKeyYBVBSNPWEGTZQT-UHFFFAOYSA-N
XLogP1.44
TPSA78.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111658025
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658032
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111658031
1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187223
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111658049
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111658033
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658024
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111657424
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 111657893
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315569
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111657929
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111657724

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine (CID 111658430) is 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine is CCN/C(=N\CC(C)(O)CN1CCOCC1)NCC(C)c1ccccc1OC.
What is the InChIKey of 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine?
The InChIKey is YBVBSNPWEGTZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-5-22-20(23-14-17(2)18-8-6-7-9-19(18)27-4)24-15-21(3,26)16-25-10-12-28-13-11-25/h6-9,17,26H,5,10-16H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine?
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine has a molecular weight of 392.54 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine is sourced from PubChem (CID 111658430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).