N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide

C11H22N2O6 — CID 20722252

IUPACN,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide
SMILESO=C(CC(=O)NCCOCCO)NCCOCCO
InChIInChI=1S/C11H22N2O6/c14-3-7-18-5-1-12-10(16)9-11(17)13-2-6-19-8-4-15/h14-15H,1-9H2,(H,12,16)(H,13,17)
InChIKeyVZHYTWAEZHRDIG-UHFFFAOYSA-N
MW278.30 g/mol
LogP-2.37
Rot. Bonds12

About N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide

N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide (PubChem CID 20722252) has the molecular formula C11H22N2O6 and a molecular weight of 278.30 g/mol. Its IUPAC name is N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide
PubChem CID20722252
Molecular FormulaC11H22N2O6
Molecular Weight278.30 g/mol
Exact Mass278.15
IUPAC NameN,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide
SMILESO=C(CC(=O)NCCOCCO)NCCOCCO
InChIInChI=1S/C11H22N2O6/c14-3-7-18-5-1-12-10(16)9-11(17)13-2-6-19-8-4-15/h14-15H,1-9H2,(H,12,16)(H,13,17)
InChIKeyVZHYTWAEZHRDIG-UHFFFAOYSA-N
XLogP-2.37
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide?
The IUPAC name of N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide (CID 20722252) is N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide.
What is the SMILES notation for N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide?
The canonical SMILES for N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide is O=C(CC(=O)NCCOCCO)NCCOCCO.
What is the InChIKey of N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide?
The InChIKey is VZHYTWAEZHRDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6/c14-3-7-18-5-1-12-10(16)9-11(17)13-2-6-19-8-4-15/h14-15H,1-9H2,(H,12,16)(H,13,17).
What are the key properties of N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide?
N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide has a molecular weight of 278.30 g/mol, XLogP of -2.37, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide is sourced from PubChem (CID 20722252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).