N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide

C11H21NO2 — CID 135072444

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)[C@H](CO)CC(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-12(10(4)14)11(8-13)7-9(2)3/h5,9,11,13H,1,6-8H2,2-4H3/t11-/m0/s1
InChIKeyOQXAHHQJXYDSPG-NSHDSACASA-N
MW199.29 g/mol
LogP1.43
Rot. Bonds6

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide (PubChem CID 135072444) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide
PubChem CID135072444
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)[C@H](CO)CC(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-12(10(4)14)11(8-13)7-9(2)3/h5,9,11,13H,1,6-8H2,2-4H3/t11-/m0/s1
InChIKeyOQXAHHQJXYDSPG-NSHDSACASA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide
CID 135084116
N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
CID 61247467
1-(1-Hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
CID 61250629
N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide
CID 88566845
N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide
CID 134607238
N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide
CID 153298499
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide
CID 153298853
N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide
CID 169185691
1-(1-Hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione
CID 61250702
N-[(2R)-1-hydroxy-4-methylpentan-2-yl]prop-2-enamide
CID 101481662
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]prop-2-enamide
CID 101481663
N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpentanamide
CID 115775810

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide (CID 135072444) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide is C=CCN(C(C)=O)[C@H](CO)CC(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide?
The InChIKey is OQXAHHQJXYDSPG-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-12(10(4)14)11(8-13)7-9(2)3/h5,9,11,13H,1,6-8H2,2-4H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide has a molecular weight of 199.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 135072444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).