N-(2-ethyl-2-hydroxybutyl)but-2-enamide

C10H19NO2 — CID 77056405

IUPACN-(2-ethyl-2-hydroxybutyl)but-2-enamide
SMILESCC=CC(=O)NCC(O)(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-7-9(12)11-8-10(13,5-2)6-3/h4,7,13H,5-6,8H2,1-3H3,(H,11,12)
InChIKeyURFTUHUVMXBCHJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.23
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)but-2-enamide

N-(2-ethyl-2-hydroxybutyl)but-2-enamide (PubChem CID 77056405) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)but-2-enamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)but-2-enamide
PubChem CID77056405
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)but-2-enamide
SMILESCC=CC(=O)NCC(O)(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-7-9(12)11-8-10(13,5-2)6-3/h4,7,13H,5-6,8H2,1-3H3,(H,11,12)
InChIKeyURFTUHUVMXBCHJ-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(2-ethyl-2-hydroxybutyl)but-2-enamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)but-2-enamide (CID 77056405) is N-(2-ethyl-2-hydroxybutyl)but-2-enamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)but-2-enamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)but-2-enamide is CC=CC(=O)NCC(O)(CC)CC.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)but-2-enamide?
The InChIKey is URFTUHUVMXBCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-9(12)11-8-10(13,5-2)6-3/h4,7,13H,5-6,8H2,1-3H3,(H,11,12).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)but-2-enamide?
N-(2-ethyl-2-hydroxybutyl)but-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)but-2-enamide is sourced from PubChem (CID 77056405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).