(E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide

C11H20N2O3 — CID 176757892

IUPAC(E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide
SMILESCC(C)(C)CNC(=O)/C=C/C(=O)NCCO
InChIInChI=1S/C11H20N2O3/c1-11(2,3)8-13-10(16)5-4-9(15)12-6-7-14/h4-5,14H,6-8H2,1-3H3,(H,12,15)(H,13,16)/b5-4+
InChIKeyVDLNDOOSIIKCQB-SNAWJCMRSA-N
MW228.29 g/mol
LogP-0.19
Rot. Bonds5

About (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide

(E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide (PubChem CID 176757892) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide
PubChem CID176757892
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide
SMILESCC(C)(C)CNC(=O)/C=C/C(=O)NCCO
InChIInChI=1S/C11H20N2O3/c1-11(2,3)8-13-10(16)5-4-9(15)12-6-7-14/h4-5,14H,6-8H2,1-3H3,(H,12,15)(H,13,16)/b5-4+
InChIKeyVDLNDOOSIIKCQB-SNAWJCMRSA-N
XLogP-0.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide?
The IUPAC name of (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide (CID 176757892) is (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide.
What is the SMILES notation for (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide?
The canonical SMILES for (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide is CC(C)(C)CNC(=O)/C=C/C(=O)NCCO.
What is the InChIKey of (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide?
The InChIKey is VDLNDOOSIIKCQB-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)8-13-10(16)5-4-9(15)12-6-7-14/h4-5,14H,6-8H2,1-3H3,(H,12,15)(H,13,16)/b5-4+.
What are the key properties of (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide?
(E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide has a molecular weight of 228.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide is sourced from PubChem (CID 176757892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).