N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide

C11H21NO2 — CID 77112901

IUPACN-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(C)CCO
InChIInChI=1S/C11H21NO2/c1-4-5-10(3)11(14)12-8-9(2)6-7-13/h5,9,13H,4,6-8H2,1-3H3,(H,12,14)
InChIKeyNLCRRNYAXYULFJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds6

About N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide

N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide (PubChem CID 77112901) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide
PubChem CID77112901
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(C)CCO
InChIInChI=1S/C11H21NO2/c1-4-5-10(3)11(14)12-8-9(2)6-7-13/h5,9,13H,4,6-8H2,1-3H3,(H,12,14)
InChIKeyNLCRRNYAXYULFJ-UHFFFAOYSA-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 N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide (CID 77112901) is N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NCC(C)CCO.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide?
The InChIKey is NLCRRNYAXYULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-10(3)11(14)12-8-9(2)6-7-13/h5,9,13H,4,6-8H2,1-3H3,(H,12,14).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide?
N-(4-hydroxy-2-methylbutyl)-2-methylpent-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 N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide is sourced from PubChem (CID 77112901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).