1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine

C19H23N5O2 — CID 54606037

IUPAC1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine
SMILESCCOc1ccccc1/C=N\N=C(\N)N/N=C/c1ccccc1OCC
InChIInChI=1S/C19H23N5O2/c1-3-25-17-11-7-5-9-15(17)13-21-23-19(20)24-22-14-16-10-6-8-12-18(16)26-4-2/h5-14H,3-4H2,1-2H3,(H3,20,23,24)/b21-13-,22-14+
InChIKeyDWYBOGPOZRQOEY-VOKWCDJLSA-N
MW353.43 g/mol
LogP2.76
Rot. Bonds8

About 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine

1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine (PubChem CID 54606037) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine
PubChem CID54606037
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine
SMILESCCOc1ccccc1/C=N\N=C(\N)N/N=C/c1ccccc1OCC
InChIInChI=1S/C19H23N5O2/c1-3-25-17-11-7-5-9-15(17)13-21-23-19(20)24-22-14-16-10-6-8-12-18(16)26-4-2/h5-14H,3-4H2,1-2H3,(H3,20,23,24)/b21-13-,22-14+
InChIKeyDWYBOGPOZRQOEY-VOKWCDJLSA-N
XLogP2.76
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine (CID 54606037) is 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine is CCOc1ccccc1/C=N\N=C(\N)N/N=C/c1ccccc1OCC.
What is the InChIKey of 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine?
The InChIKey is DWYBOGPOZRQOEY-VOKWCDJLSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-25-17-11-7-5-9-15(17)13-21-23-19(20)24-22-14-16-10-6-8-12-18(16)26-4-2/h5-14H,3-4H2,1-2H3,(H3,20,23,24)/b21-13-,22-14+.
What are the key properties of 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine?
1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine has a molecular weight of 353.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 54606037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).