(E)-N,N,N',N'-tetraethylbut-2-enediamide

C12H22N2O2 — CID 6151773

IUPAC(E)-N,N,N',N'-tetraethylbut-2-enediamide
SMILESCCN(CC)C(=O)/C=C/C(=O)N(CC)CC
InChIInChI=1S/C12H22N2O2/c1-5-13(6-2)11(15)9-10-12(16)14(7-3)8-4/h9-10H,5-8H2,1-4H3/b10-9+
InChIKeyOLWOGCIWEBYFKD-MDZDMXLPSA-N
MW226.32 g/mol
LogP1.28
Rot. Bonds6

About (E)-N,N,N',N'-tetraethylbut-2-enediamide

(E)-N,N,N',N'-tetraethylbut-2-enediamide (PubChem CID 6151773) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (E)-N,N,N',N'-tetraethylbut-2-enediamide.

Molecular Properties

Compound Name(E)-N,N,N',N'-tetraethylbut-2-enediamide
PubChem CID6151773
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(E)-N,N,N',N'-tetraethylbut-2-enediamide
SMILESCCN(CC)C(=O)/C=C/C(=O)N(CC)CC
InChIInChI=1S/C12H22N2O2/c1-5-13(6-2)11(15)9-10-12(16)14(7-3)8-4/h9-10H,5-8H2,1-4H3/b10-9+
InChIKeyOLWOGCIWEBYFKD-MDZDMXLPSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,N,N',N'-tetraethylbut-2-enediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,N',N'-tetraethylbut-2-enediamide?
The IUPAC name of (E)-N,N,N',N'-tetraethylbut-2-enediamide (CID 6151773) is (E)-N,N,N',N'-tetraethylbut-2-enediamide.
What is the SMILES notation for (E)-N,N,N',N'-tetraethylbut-2-enediamide?
The canonical SMILES for (E)-N,N,N',N'-tetraethylbut-2-enediamide is CCN(CC)C(=O)/C=C/C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N,N',N'-tetraethylbut-2-enediamide?
The InChIKey is OLWOGCIWEBYFKD-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-13(6-2)11(15)9-10-12(16)14(7-3)8-4/h9-10H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-N,N,N',N'-tetraethylbut-2-enediamide?
(E)-N,N,N',N'-tetraethylbut-2-enediamide has a molecular weight of 226.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,N',N'-tetraethylbut-2-enediamide is sourced from PubChem (CID 6151773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).