2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride

C14H23ClN2O2 — CID 110173917

IUPAC2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride
SMILESCCOc1ccc(N(CC[NH+](C)C)C(C)=O)cc1.[Cl-]
InChIInChI=1S/C14H22N2O2.ClH/c1-5-18-14-8-6-13(7-9-14)16(12(2)17)11-10-15(3)4;/h6-9H,5,10-11H2,1-4H3;1H
InChIKeyFKHZWUAPMWEJKG-UHFFFAOYSA-N
MW286.80 g/mol
LogP-2.41
Rot. Bonds6

About 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride

2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride (PubChem CID 110173917) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride
PubChem CID110173917
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride
SMILESCCOc1ccc(N(CC[NH+](C)C)C(C)=O)cc1.[Cl-]
InChIInChI=1S/C14H22N2O2.ClH/c1-5-18-14-8-6-13(7-9-14)16(12(2)17)11-10-15(3)4;/h6-9H,5,10-11H2,1-4H3;1H
InChIKeyFKHZWUAPMWEJKG-UHFFFAOYSA-N
XLogP-2.41
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride?
The IUPAC name of 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride (CID 110173917) is 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride?
The canonical SMILES for 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride is CCOc1ccc(N(CC[NH+](C)C)C(C)=O)cc1.[Cl-].
What is the InChIKey of 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride?
The InChIKey is FKHZWUAPMWEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-5-18-14-8-6-13(7-9-14)16(12(2)17)11-10-15(3)4;/h6-9H,5,10-11H2,1-4H3;1H.
What are the key properties of 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride?
2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride has a molecular weight of 286.80 g/mol, XLogP of -2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride is sourced from PubChem (CID 110173917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).