1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

C23H34N4O4 — CID 110058410

IUPAC1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCOc1ccc(N/C(=N/CCCN2CCOCC2)NCCc2ccco2)cc1OC
InChIInChI=1S/C23H34N4O4/c1-3-30-21-8-7-19(18-22(21)28-2)26-23(25-11-9-20-6-4-15-31-20)24-10-5-12-27-13-16-29-17-14-27/h4,6-8,15,18H,3,5,9-14,16-17H2,1-2H3,(H2,24,25,26)
InChIKeyNRXVCNMYENEMFA-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.01
Rot. Bonds11

About 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 110058410) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID110058410
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCOc1ccc(N/C(=N/CCCN2CCOCC2)NCCc2ccco2)cc1OC
InChIInChI=1S/C23H34N4O4/c1-3-30-21-8-7-19(18-22(21)28-2)26-23(25-11-9-20-6-4-15-31-20)24-10-5-12-27-13-16-29-17-14-27/h4,6-8,15,18H,3,5,9-14,16-17H2,1-2H3,(H2,24,25,26)
InChIKeyNRXVCNMYENEMFA-UHFFFAOYSA-N
XLogP3.01
TPSA80.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.01
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'}

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Related Compounds

2-butyl-1-(3,4-dimethoxyphenyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 110058334
1-[2-(furan-2-yl)ethyl]-2-(4-morpholin-4-ylbutyl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 111862304
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-propylguanidine
CID 111226057
1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110975840
1-[2-(furan-2-yl)ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111777259
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110058379
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
CID 110058390
1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclopropyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111356262
1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
CID 136727116
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111146165
1-[2-(3-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111355227
1-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317021

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (CID 110058410) is 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is CCOc1ccc(N/C(=N/CCCN2CCOCC2)NCCc2ccco2)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is NRXVCNMYENEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-3-30-21-8-7-19(18-22(21)28-2)26-23(25-11-9-20-6-4-15-31-20)24-10-5-12-27-13-16-29-17-14-27/h4,6-8,15,18H,3,5,9-14,16-17H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 430.55 g/mol, XLogP of 3.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110058410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).