3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide

C13H25NO2 — CID 123660531

IUPAC3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide
SMILESC=CCCC(O)C(C)C(=O)NC(C)C(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-8-12(15)10(4)13(16)14-11(5)9(2)3/h6,9-12,15H,1,7-8H2,2-5H3,(H,14,16)
InChIKeyXJTWUZZCDOOHPC-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.11
Rot. Bonds7

About 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide

3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide (PubChem CID 123660531) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide
PubChem CID123660531
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide
SMILESC=CCCC(O)C(C)C(=O)NC(C)C(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-8-12(15)10(4)13(16)14-11(5)9(2)3/h6,9-12,15H,1,7-8H2,2-5H3,(H,14,16)
InChIKeyXJTWUZZCDOOHPC-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-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 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide (CID 123660531) is 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide is C=CCCC(O)C(C)C(=O)NC(C)C(C)C.
What is the InChIKey of 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide?
The InChIKey is XJTWUZZCDOOHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-7-8-12(15)10(4)13(16)14-11(5)9(2)3/h6,9-12,15H,1,7-8H2,2-5H3,(H,14,16).
What are the key properties of 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide?
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)hept-6-enamide is sourced from PubChem (CID 123660531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).