N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride

C18H23ClN2O2 — CID 12113

IUPACN,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride
SMILESCCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2;/h6-13H,4-5H2,1-3H3,(H,19,20);1H
InChIKeyRRRKUSYYBYVFMC-UHFFFAOYSA-N
MW334.85 g/mol
LogP5.07
Rot. Bonds6

About N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride

N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride (PubChem CID 12113) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride
PubChem CID12113
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride
SMILESCCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2;/h6-13H,4-5H2,1-3H3,(H,19,20);1H
InChIKeyRRRKUSYYBYVFMC-UHFFFAOYSA-N
XLogP5.07
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride?
The IUPAC name of N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride (CID 12113) is N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride is CCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1.Cl.
What is the InChIKey of N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride?
The InChIKey is RRRKUSYYBYVFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2;/h6-13H,4-5H2,1-3H3,(H,19,20);1H.
What are the key properties of N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride?
N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-ethoxyphenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 12113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).