(Z)-N',N',2,3-tetraethylbut-2-enediamide

C12H22N2O2 — CID 21097548

IUPAC(Z)-N',N',2,3-tetraethylbut-2-enediamide
SMILESCC/C(C(N)=O)=C(\CC)C(=O)N(CC)CC
InChIInChI=1S/C12H22N2O2/c1-5-9(11(13)15)10(6-2)12(16)14(7-3)8-4/h5-8H2,1-4H3,(H2,13,15)/b10-9-
InChIKeyHSHUUVSJKLBBBM-KTKRTIGZSA-N
MW226.32 g/mol
LogP1.46
Rot. Bonds6

About (Z)-N',N',2,3-tetraethylbut-2-enediamide

(Z)-N',N',2,3-tetraethylbut-2-enediamide (PubChem CID 21097548) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (Z)-N',N',2,3-tetraethylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-N',N',2,3-tetraethylbut-2-enediamide
PubChem CID21097548
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(Z)-N',N',2,3-tetraethylbut-2-enediamide
SMILESCC/C(C(N)=O)=C(\CC)C(=O)N(CC)CC
InChIInChI=1S/C12H22N2O2/c1-5-9(11(13)15)10(6-2)12(16)14(7-3)8-4/h5-8H2,1-4H3,(H2,13,15)/b10-9-
InChIKeyHSHUUVSJKLBBBM-KTKRTIGZSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N',N',2,3-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 (Z)-N',N',2,3-tetraethylbut-2-enediamide?
The IUPAC name of (Z)-N',N',2,3-tetraethylbut-2-enediamide (CID 21097548) is (Z)-N',N',2,3-tetraethylbut-2-enediamide.
What is the SMILES notation for (Z)-N',N',2,3-tetraethylbut-2-enediamide?
The canonical SMILES for (Z)-N',N',2,3-tetraethylbut-2-enediamide is CC/C(C(N)=O)=C(\CC)C(=O)N(CC)CC.
What is the InChIKey of (Z)-N',N',2,3-tetraethylbut-2-enediamide?
The InChIKey is HSHUUVSJKLBBBM-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-9(11(13)15)10(6-2)12(16)14(7-3)8-4/h5-8H2,1-4H3,(H2,13,15)/b10-9-.
What are the key properties of (Z)-N',N',2,3-tetraethylbut-2-enediamide?
(Z)-N',N',2,3-tetraethylbut-2-enediamide has a molecular weight of 226.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N',N',2,3-tetraethylbut-2-enediamide is sourced from PubChem (CID 21097548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).