1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine

C24H34N4O4 — CID 111376142

IUPAC1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cc(OC)c(OC)c(OC)c1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H34N4O4/c1-5-25-24(27-17-19-14-21(29-2)23(31-4)22(15-19)30-3)26-16-18-6-8-20(9-7-18)28-10-12-32-13-11-28/h6-9,14-15H,5,10-13,16-17H2,1-4H3,(H2,25,26,27)
InChIKeyLOGYAHWPKXKIQJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.80
Rot. Bonds9

About 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine

1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine (PubChem CID 111376142) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
PubChem CID111376142
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cc(OC)c(OC)c(OC)c1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H34N4O4/c1-5-25-24(27-17-19-14-21(29-2)23(31-4)22(15-19)30-3)26-16-18-6-8-20(9-7-18)28-10-12-32-13-11-28/h6-9,14-15H,5,10-13,16-17H2,1-4H3,(H2,25,26,27)
InChIKeyLOGYAHWPKXKIQJ-UHFFFAOYSA-N
XLogP2.80
TPSA76.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111214130
1-ethyl-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111589010
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111175853
1-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111854424
1-ethyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111376764
1-ethyl-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376461
1-ethyl-3-(2-methoxyethyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 110940548
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111201241
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111169237
1-ethyl-3-[(1-phenylpyrrolidin-3-yl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377010
1-ethyl-3-[(4-fluoro-3-methylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377752
1-ethyl-3-[(2-methylphenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111359004

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine (CID 111376142) is 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine is CCN/C(=N\Cc1cc(OC)c(OC)c(OC)c1)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
The InChIKey is LOGYAHWPKXKIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-5-25-24(27-17-19-14-21(29-2)23(31-4)22(15-19)30-3)26-16-18-6-8-20(9-7-18)28-10-12-32-13-11-28/h6-9,14-15H,5,10-13,16-17H2,1-4H3,(H2,25,26,27).
What are the key properties of 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine has a molecular weight of 442.56 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-morpholin-4-ylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111376142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).