2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine

C17H20N4O2 — CID 5348593

IUPAC2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine
SMILESCCOc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1
InChIInChI=1S/C17H20N4O2/c1-2-22-16-10-14(11-20-21-17(18)19)8-9-15(16)23-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H4,18,19,21)/b20-11+
InChIKeyFDACJEPIFBUJMU-RGVLZGJSSA-N
MW312.37 g/mol
LogP2.27
Rot. Bonds7

About 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine

2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine (PubChem CID 5348593) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine
PubChem CID5348593
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine
SMILESCCOc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1
InChIInChI=1S/C17H20N4O2/c1-2-22-16-10-14(11-20-21-17(18)19)8-9-15(16)23-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H4,18,19,21)/b20-11+
InChIKeyFDACJEPIFBUJMU-RGVLZGJSSA-N
XLogP2.27
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.27
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine (CID 5348593) is 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine is CCOc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine?
The InChIKey is FDACJEPIFBUJMU-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-22-16-10-14(11-20-21-17(18)19)8-9-15(16)23-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H4,18,19,21)/b20-11+.
What are the key properties of 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine?
2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine has a molecular weight of 312.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 5348593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).