3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide

C10H17FN2O2 — CID 143105678

IUPAC3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)C(=O)C(CC(C)C)NF
InChIInChI=1S/C10H17FN2O2/c1-4-5-12-10(15)9(14)8(13-11)6-7(2)3/h4,7-8,13H,1,5-6H2,2-3H3,(H,12,15)
InChIKeyOCNGAMLBDCVLME-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.75
Rot. Bonds7

About 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide

3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide (PubChem CID 143105678) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide.

Molecular Properties

Compound Name3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide
PubChem CID143105678
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)C(=O)C(CC(C)C)NF
InChIInChI=1S/C10H17FN2O2/c1-4-5-12-10(15)9(14)8(13-11)6-7(2)3/h4,7-8,13H,1,5-6H2,2-3H3,(H,12,15)
InChIKeyOCNGAMLBDCVLME-UHFFFAOYSA-N
XLogP0.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide?
The IUPAC name of 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide (CID 143105678) is 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide.
What is the SMILES notation for 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide?
The canonical SMILES for 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide is C=CCNC(=O)C(=O)C(CC(C)C)NF.
What is the InChIKey of 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide?
The InChIKey is OCNGAMLBDCVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-4-5-12-10(15)9(14)8(13-11)6-7(2)3/h4,7-8,13H,1,5-6H2,2-3H3,(H,12,15).
What are the key properties of 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide?
3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide has a molecular weight of 216.26 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide is sourced from PubChem (CID 143105678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).