2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride

C14H20Cl2N2O4 — CID 69277260

IUPAC2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CNCCOC1=COC(Cc2ccccc2)O1
InChIInChI=1S/C14H18N2O4.2ClH/c15-12(17)9-16-6-7-18-14-10-19-13(20-14)8-11-4-2-1-3-5-11;;/h1-5,10,13,16H,6-9H2,(H2,15,17);2*1H
InChIKeyZCFJMSNSSHMOHW-UHFFFAOYSA-N
MW351.23 g/mol
LogP1.34
Rot. Bonds8

About 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride

2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride (PubChem CID 69277260) has the molecular formula C14H20Cl2N2O4 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride
PubChem CID69277260
Molecular FormulaC14H20Cl2N2O4
Molecular Weight351.23 g/mol
Exact Mass350.08
IUPAC Name2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CNCCOC1=COC(Cc2ccccc2)O1
InChIInChI=1S/C14H18N2O4.2ClH/c15-12(17)9-16-6-7-18-14-10-19-13(20-14)8-11-4-2-1-3-5-11;;/h1-5,10,13,16H,6-9H2,(H2,15,17);2*1H
InChIKeyZCFJMSNSSHMOHW-UHFFFAOYSA-N
XLogP1.34
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride?
The IUPAC name of 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride (CID 69277260) is 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride?
The canonical SMILES for 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride is Cl.Cl.NC(=O)CNCCOC1=COC(Cc2ccccc2)O1.
What is the InChIKey of 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride?
The InChIKey is ZCFJMSNSSHMOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4.2ClH/c15-12(17)9-16-6-7-18-14-10-19-13(20-14)8-11-4-2-1-3-5-11;;/h1-5,10,13,16H,6-9H2,(H2,15,17);2*1H.
What are the key properties of 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride?
2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride has a molecular weight of 351.23 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide;dihydrochloride is sourced from PubChem (CID 69277260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).