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

C21H36N4O3 — CID 110972715

IUPAC1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCOCc1ccc(OC)cc1)NCCCN1CCOCC1
InChIInChI=1S/C21H36N4O3/c1-3-22-21(23-10-4-12-25-13-16-27-17-14-25)24-11-5-15-28-18-19-6-8-20(26-2)9-7-19/h6-9H,3-5,10-18H2,1-2H3,(H2,22,23,24)
InChIKeyRZGJENXMEGIJMK-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.88
Rot. Bonds12

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

1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 110972715) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine
PubChem CID110972715
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCOCc1ccc(OC)cc1)NCCCN1CCOCC1
InChIInChI=1S/C21H36N4O3/c1-3-22-21(23-10-4-12-25-13-16-27-17-14-25)24-11-5-15-28-18-19-6-8-20(26-2)9-7-19/h6-9H,3-5,10-18H2,1-2H3,(H2,22,23,24)
InChIKeyRZGJENXMEGIJMK-UHFFFAOYSA-N
XLogP1.88
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.88
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-ethyl-2-[3-(4-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971534
1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972329
2-(3-ethoxypropyl)-1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]guanidine;hydroiodide
CID 111222648
1-ethyl-2-[2-(4-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111547790
1-ethyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971778
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972815
1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(3-methoxypropyl)guanidine
CID 110976273
2-[3-(3,4-dimethoxyphenyl)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971855
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111494360
1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369011
1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111348076
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110973033

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine (CID 110972715) is 1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CCCOCc1ccc(OC)cc1)NCCCN1CCOCC1.
What is the InChIKey of 1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is RZGJENXMEGIJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-3-22-21(23-10-4-12-25-13-16-27-17-14-25)24-11-5-15-28-18-19-6-8-20(26-2)9-7-19/h6-9H,3-5,10-18H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine?
1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 392.54 g/mol, XLogP of 1.88, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110972715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).