(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide

C11H21NO2 — CID 103843259

IUPAC(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide
SMILESC/C=C/C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C11H21NO2/c1-4-7-10(14)12-8-11(5-2,6-3)9-13/h4,7,13H,5-6,8-9H2,1-3H3,(H,12,14)/b7-4+
InChIKeyAKNWMWISTWEGHZ-QPJJXVBHSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds6

About (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide

(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide (PubChem CID 103843259) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide
PubChem CID103843259
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide
SMILESC/C=C/C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C11H21NO2/c1-4-7-10(14)12-8-11(5-2,6-3)9-13/h4,7,13H,5-6,8-9H2,1-3H3,(H,12,14)/b7-4+
InChIKeyAKNWMWISTWEGHZ-QPJJXVBHSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
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 (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide?
The IUPAC name of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide (CID 103843259) is (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide is C/C=C/C(=O)NCC(CC)(CC)CO.
What is the InChIKey of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide?
The InChIKey is AKNWMWISTWEGHZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-7-10(14)12-8-11(5-2,6-3)9-13/h4,7,13H,5-6,8-9H2,1-3H3,(H,12,14)/b7-4+.
What are the key properties of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide?
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide is sourced from PubChem (CID 103843259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).