N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide

C11H21NO3 — CID 103712530

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(C)(O)CCOC
InChIInChI=1S/C11H21NO3/c1-4-5-6-10(13)12-9-11(2,14)7-8-15-3/h4,14H,1,5-9H2,2-3H3,(H,12,13)
InChIKeyQMMWMLZXGKULOW-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.86
Rot. Bonds8

About N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide (PubChem CID 103712530) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
PubChem CID103712530
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(C)(O)CCOC
InChIInChI=1S/C11H21NO3/c1-4-5-6-10(13)12-9-11(2,14)7-8-15-3/h4,14H,1,5-9H2,2-3H3,(H,12,13)
InChIKeyQMMWMLZXGKULOW-UHFFFAOYSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide 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-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
CID 106249974
2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712613
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-phenylsulfanylbutanamide
CID 103712176
methyl 2-(pent-4-enoylamino)acetate
CID 59153848
6-amino-4-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 106254569
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 114164661
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide
CID 114164663
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide (CID 103712530) is N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide is C=CCCC(=O)NCC(C)(O)CCOC.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide?
The InChIKey is QMMWMLZXGKULOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-6-10(13)12-9-11(2,14)7-8-15-3/h4,14H,1,5-9H2,2-3H3,(H,12,13).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide has a molecular weight of 215.29 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide is sourced from PubChem (CID 103712530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).