N-methoxy-N-methyl-4-oxo-3-propylhexanamide

C11H21NO3 — CID 142917953

IUPACN-methoxy-N-methyl-4-oxo-3-propylhexanamide
SMILESCCCC(CC(=O)N(C)OC)C(=O)CC
InChIInChI=1S/C11H21NO3/c1-5-7-9(10(13)6-2)8-11(14)12(3)15-4/h9H,5-8H2,1-4H3
InChIKeySAZWGBLYKQICIH-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds7

About N-methoxy-N-methyl-4-oxo-3-propylhexanamide

N-methoxy-N-methyl-4-oxo-3-propylhexanamide (PubChem CID 142917953) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-oxo-3-propylhexanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-oxo-3-propylhexanamide
PubChem CID142917953
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-methoxy-N-methyl-4-oxo-3-propylhexanamide
SMILESCCCC(CC(=O)N(C)OC)C(=O)CC
InChIInChI=1S/C11H21NO3/c1-5-7-9(10(13)6-2)8-11(14)12(3)15-4/h9H,5-8H2,1-4H3
InChIKeySAZWGBLYKQICIH-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-oxo-3-propylhexanamide?
The IUPAC name of N-methoxy-N-methyl-4-oxo-3-propylhexanamide (CID 142917953) is N-methoxy-N-methyl-4-oxo-3-propylhexanamide.
What is the SMILES notation for N-methoxy-N-methyl-4-oxo-3-propylhexanamide?
The canonical SMILES for N-methoxy-N-methyl-4-oxo-3-propylhexanamide is CCCC(CC(=O)N(C)OC)C(=O)CC.
What is the InChIKey of N-methoxy-N-methyl-4-oxo-3-propylhexanamide?
The InChIKey is SAZWGBLYKQICIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-9(10(13)6-2)8-11(14)12(3)15-4/h9H,5-8H2,1-4H3.
What are the key properties of N-methoxy-N-methyl-4-oxo-3-propylhexanamide?
N-methoxy-N-methyl-4-oxo-3-propylhexanamide has a molecular weight of 215.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-oxo-3-propylhexanamide is sourced from PubChem (CID 142917953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).