2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride

C6H16Cl2N2O3 — CID 18671967

IUPAC2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CN(CCO)CCO
InChIInChI=1S/C6H14N2O3.2ClH/c7-6(11)5-8(1-3-9)2-4-10;;/h9-10H,1-5H2,(H2,7,11);2*1H
InChIKeyWIJKQIXSHZCLKW-UHFFFAOYSA-N
MW235.11 g/mol
LogP-1.40
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride

2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride (PubChem CID 18671967) has the molecular formula C6H16Cl2N2O3 and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride
PubChem CID18671967
Molecular FormulaC6H16Cl2N2O3
Molecular Weight235.11 g/mol
Exact Mass234.05
IUPAC Name2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CN(CCO)CCO
InChIInChI=1S/C6H14N2O3.2ClH/c7-6(11)5-8(1-3-9)2-4-10;;/h9-10H,1-5H2,(H2,7,11);2*1H
InChIKeyWIJKQIXSHZCLKW-UHFFFAOYSA-N
XLogP-1.40
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride (CID 18671967) is 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride is Cl.Cl.NC(=O)CN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride?
The InChIKey is WIJKQIXSHZCLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3.2ClH/c7-6(11)5-8(1-3-9)2-4-10;;/h9-10H,1-5H2,(H2,7,11);2*1H.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride?
2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride has a molecular weight of 235.11 g/mol, XLogP of -1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride is sourced from PubChem (CID 18671967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).