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

C12H24N2O6 — CID 20614955

IUPACN,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide
SMILESO=C(CCC(=O)NCCOCCO)NCCOCCO
InChIInChI=1S/C12H24N2O6/c15-5-9-19-7-3-13-11(17)1-2-12(18)14-4-8-20-10-6-16/h15-16H,1-10H2,(H,13,17)(H,14,18)
InChIKeyPXKKGZIVKJECSJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP-1.98
Rot. Bonds13

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

N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide (PubChem CID 20614955) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide
PubChem CID20614955
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC NameN,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide
SMILESO=C(CCC(=O)NCCOCCO)NCCOCCO
InChIInChI=1S/C12H24N2O6/c15-5-9-19-7-3-13-11(17)1-2-12(18)14-4-8-20-10-6-16/h15-16H,1-10H2,(H,13,17)(H,14,18)
InChIKeyPXKKGZIVKJECSJ-UHFFFAOYSA-N
XLogP-1.98
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 231264
CID 231264
CID 3088119
CID 3088119
CID 22214014
CID 22214014
CID 6605253
CID 6605253
CID 135291935
CID 135291935
CID 176934478
CID 176934478
CID 12065729
CID 12065729
CID 71343465
CID 71343465
CID 3088120
CID 3088120
CID 559348
CID 559348
CID 2168707
CID 2168707
CID 10467101
CID 10467101

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide?
The IUPAC name of N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide (CID 20614955) is N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide.
What is the SMILES notation for N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide?
The canonical SMILES for N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide is O=C(CCC(=O)NCCOCCO)NCCOCCO.
What is the InChIKey of N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide?
The InChIKey is PXKKGZIVKJECSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6/c15-5-9-19-7-3-13-11(17)1-2-12(18)14-4-8-20-10-6-16/h15-16H,1-10H2,(H,13,17)(H,14,18).
What are the key properties of N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide?
N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide has a molecular weight of 292.33 g/mol, XLogP of -1.98, 13 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]butanediamide is sourced from PubChem (CID 20614955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).