N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide

C11H21NO2 — CID 103772974

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC(C)(C)CCO
InChIInChI=1S/C11H21NO2/c1-9(2)7-10(14)12-8-11(3,4)5-6-13/h7,13H,5-6,8H2,1-4H3,(H,12,14)
InChIKeyDYXFTMKMMRUREL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide

N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide (PubChem CID 103772974) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide
PubChem CID103772974
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC(C)(C)CCO
InChIInChI=1S/C11H21NO2/c1-9(2)7-10(14)12-8-11(3,4)5-6-13/h7,13H,5-6,8H2,1-4H3,(H,12,14)
InChIKeyDYXFTMKMMRUREL-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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'}

Analyze N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-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-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide (CID 103772974) is N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NCC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide?
The InChIKey is DYXFTMKMMRUREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)7-10(14)12-8-11(3,4)5-6-13/h7,13H,5-6,8H2,1-4H3,(H,12,14).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide?
N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide is sourced from PubChem (CID 103772974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).