N,N'-bis(2-methoxyethyl)butanediamide

C10H20N2O4 — CID 2168707

IUPACN,N'-bis(2-methoxyethyl)butanediamide
SMILESCOCCNC(=O)CCC(=O)NCCOC
InChIInChI=1S/C10H20N2O4/c1-15-7-5-11-9(13)3-4-10(14)12-6-8-16-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBLVRBHYWRQJDSF-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.71
Rot. Bonds9

About N,N'-bis(2-methoxyethyl)butanediamide

N,N'-bis(2-methoxyethyl)butanediamide (PubChem CID 2168707) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N,N'-bis(2-methoxyethyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methoxyethyl)butanediamide
PubChem CID2168707
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN,N'-bis(2-methoxyethyl)butanediamide
SMILESCOCCNC(=O)CCC(=O)NCCOC
InChIInChI=1S/C10H20N2O4/c1-15-7-5-11-9(13)3-4-10(14)12-6-8-16-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBLVRBHYWRQJDSF-UHFFFAOYSA-N
XLogP-0.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N,N'-bis(2-methoxyethyl)butanediamide?
The IUPAC name of N,N'-bis(2-methoxyethyl)butanediamide (CID 2168707) is N,N'-bis(2-methoxyethyl)butanediamide.
What is the SMILES notation for N,N'-bis(2-methoxyethyl)butanediamide?
The canonical SMILES for N,N'-bis(2-methoxyethyl)butanediamide is COCCNC(=O)CCC(=O)NCCOC.
What is the InChIKey of N,N'-bis(2-methoxyethyl)butanediamide?
The InChIKey is BLVRBHYWRQJDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-15-7-5-11-9(13)3-4-10(14)12-6-8-16-2/h3-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N,N'-bis(2-methoxyethyl)butanediamide?
N,N'-bis(2-methoxyethyl)butanediamide has a molecular weight of 232.28 g/mol, XLogP of -0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methoxyethyl)butanediamide is sourced from PubChem (CID 2168707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).