3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide

C11H21NO2 — CID 18340958

IUPAC3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide
SMILESC=C(C)CC(C(=O)NC)C(O)CCC
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)9(7-8(2)3)11(14)12-4/h9-10,13H,2,5-7H2,1,3-4H3,(H,12,14)
InChIKeyWZXBWRZNFVSWFY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds6

About 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide

3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide (PubChem CID 18340958) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide
PubChem CID18340958
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide
SMILESC=C(C)CC(C(=O)NC)C(O)CCC
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)9(7-8(2)3)11(14)12-4/h9-10,13H,2,5-7H2,1,3-4H3,(H,12,14)
InChIKeyWZXBWRZNFVSWFY-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide?
The IUPAC name of 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide (CID 18340958) is 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide?
The canonical SMILES for 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide is C=C(C)CC(C(=O)NC)C(O)CCC.
What is the InChIKey of 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide?
The InChIKey is WZXBWRZNFVSWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-10(13)9(7-8(2)3)11(14)12-4/h9-10,13H,2,5-7H2,1,3-4H3,(H,12,14).
What are the key properties of 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide?
3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide 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 3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide is sourced from PubChem (CID 18340958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).