N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide

C10H19NO2 — CID 79387381

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide
SMILESC=CCC(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C10H19NO2/c1-5-7-9(12)11(6-2)8-10(3,4)13/h5,13H,1,6-8H2,2-4H3
InChIKeyNXRJXPDDLFLKHE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.18
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide (PubChem CID 79387381) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide
PubChem CID79387381
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide
SMILESC=CCC(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C10H19NO2/c1-5-7-9(12)11(6-2)8-10(3,4)13/h5,13H,1,6-8H2,2-4H3
InChIKeyNXRJXPDDLFLKHE-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide 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 N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide (CID 79387381) is N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide is C=CCC(=O)N(CC)CC(C)(C)O.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide?
The InChIKey is NXRJXPDDLFLKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-9(12)11(6-2)8-10(3,4)13/h5,13H,1,6-8H2,2-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)but-3-enamide is sourced from PubChem (CID 79387381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).