1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine

C19H25N3O3 — CID 136727116

IUPAC1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\CCc1ccco1)Nc1ccc(OC)c(OCC)c1
InChIInChI=1S/C19H25N3O3/c1-4-11-20-19(21-12-10-16-7-6-13-25-16)22-15-8-9-17(23-3)18(14-15)24-5-2/h4,6-9,13-14H,1,5,10-12H2,2-3H3,(H2,20,21,22)
InChIKeyOJZFMEYDJXAMIJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.47
Rot. Bonds9

About 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine

1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine (PubChem CID 136727116) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
PubChem CID136727116
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\CCc1ccco1)Nc1ccc(OC)c(OCC)c1
InChIInChI=1S/C19H25N3O3/c1-4-11-20-19(21-12-10-16-7-6-13-25-16)22-15-8-9-17(23-3)18(14-15)24-5-2/h4,6-9,13-14H,1,5,10-12H2,2-3H3,(H2,20,21,22)
InChIKeyOJZFMEYDJXAMIJ-UHFFFAOYSA-N
XLogP3.47
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.47
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110058379
2-butyl-1-(3,4-dimethoxyphenyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 110058334
1-(4-ethoxy-3-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110058410
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
CID 110058390
2-[2-(furan-2-yl)ethyl]-1-prop-2-enyl-3-prop-2-ynylguanidine
CID 136922975
2-[2-(furan-2-yl)ethyl]-1-prop-2-enyl-3-prop-2-ynylguanidine;hydroiodide
CID 136922974
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111841307
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-[2-(furan-2-yl)ethyl]-1-methyl-3-prop-2-enylguanidine;hydroiodide
CID 136920710
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111146165
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
CID 136701277
2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-enylguanidine;hydroiodide
CID 136922944

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine (CID 136727116) is 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine is C=CCN/C(=N\CCc1ccco1)Nc1ccc(OC)c(OCC)c1.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine?
The InChIKey is OJZFMEYDJXAMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-11-20-19(21-12-10-16-7-6-13-25-16)22-15-8-9-17(23-3)18(14-15)24-5-2/h4,6-9,13-14H,1,5,10-12H2,2-3H3,(H2,20,21,22).
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine?
1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine has a molecular weight of 343.43 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 136727116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).