2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide

C13H18N2O3 — CID 126798579

IUPAC2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide
SMILESCOc1ccc(CC(N)=NOC2CCOC2)cc1
InChIInChI=1S/C13H18N2O3/c1-16-11-4-2-10(3-5-11)8-13(14)15-18-12-6-7-17-9-12/h2-5,12H,6-9H2,1H3,(H2,14,15)
InChIKeyMZPWZOVARWUSAU-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.32
Rot. Bonds5

About 2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide

2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide (PubChem CID 126798579) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide
PubChem CID126798579
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide
SMILESCOc1ccc(CC(N)=NOC2CCOC2)cc1
InChIInChI=1S/C13H18N2O3/c1-16-11-4-2-10(3-5-11)8-13(14)15-18-12-6-7-17-9-12/h2-5,12H,6-9H2,1H3,(H2,14,15)
InChIKeyMZPWZOVARWUSAU-UHFFFAOYSA-N
XLogP1.32
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
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-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide?
The IUPAC name of 2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide (CID 126798579) is 2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide is COc1ccc(CC(N)=NOC2CCOC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide?
The InChIKey is MZPWZOVARWUSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-16-11-4-2-10(3-5-11)8-13(14)15-18-12-6-7-17-9-12/h2-5,12H,6-9H2,1H3,(H2,14,15).
What are the key properties of 2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide?
2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide has a molecular weight of 250.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide is sourced from PubChem (CID 126798579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).