N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide

C12H23NO2 — CID 79381166

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C12H23NO2/c1-6-8-10(3)11(14)13(7-2)9-12(4,5)15/h8,15H,6-7,9H2,1-5H3
InChIKeyCFZMEHZPOYJEPM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide (PubChem CID 79381166) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide
PubChem CID79381166
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C12H23NO2/c1-6-8-10(3)11(14)13(7-2)9-12(4,5)15/h8,15H,6-7,9H2,1-5H3
InChIKeyCFZMEHZPOYJEPM-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
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-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide (CID 79381166) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide is CCC=C(C)C(=O)N(CC)CC(C)(C)O.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide?
The InChIKey is CFZMEHZPOYJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-8-10(3)11(14)13(7-2)9-12(4,5)15/h8,15H,6-7,9H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 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)-2-methylpent-2-enamide is sourced from PubChem (CID 79381166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).