(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide

C14H26N2O6 — CID 59520541

IUPAC(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide
SMILESCOCCOCCNC(=O)/C=C/C(=O)NCCOCCOC
InChIInChI=1S/C14H26N2O6/c1-19-9-11-21-7-5-15-13(17)3-4-14(18)16-6-8-22-12-10-20-2/h3-4H,5-12H2,1-2H3,(H,15,17)(H,16,18)/b4-3+
InChIKeyRHGKBJRLZGLUCI-ONEGZZNKSA-N
MW318.37 g/mol
LogP-0.90
Rot. Bonds14

About (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide

(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide (PubChem CID 59520541) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide
PubChem CID59520541
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide
SMILESCOCCOCCNC(=O)/C=C/C(=O)NCCOCCOC
InChIInChI=1S/C14H26N2O6/c1-19-9-11-21-7-5-15-13(17)3-4-14(18)16-6-8-22-12-10-20-2/h3-4H,5-12H2,1-2H3,(H,15,17)(H,16,18)/b4-3+
InChIKeyRHGKBJRLZGLUCI-ONEGZZNKSA-N
XLogP-0.90
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide?
The IUPAC name of (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide (CID 59520541) is (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide.
What is the SMILES notation for (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide?
The canonical SMILES for (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide is COCCOCCNC(=O)/C=C/C(=O)NCCOCCOC.
What is the InChIKey of (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide?
The InChIKey is RHGKBJRLZGLUCI-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H26N2O6/c1-19-9-11-21-7-5-15-13(17)3-4-14(18)16-6-8-22-12-10-20-2/h3-4H,5-12H2,1-2H3,(H,15,17)(H,16,18)/b4-3+.
What are the key properties of (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide?
(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide has a molecular weight of 318.37 g/mol, XLogP of -0.90, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-enediamide is sourced from PubChem (CID 59520541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).