N,5,5-trimethyl-4-oxohexanamide

C9H17NO2 — CID 134590722

IUPACN,5,5-trimethyl-4-oxohexanamide
SMILESCNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)7(11)5-6-8(12)10-4/h5-6H2,1-4H3,(H,10,12)
InChIKeyREZWSEPHOACYLG-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds3

About N,5,5-trimethyl-4-oxohexanamide

N,5,5-trimethyl-4-oxohexanamide (PubChem CID 134590722) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,5,5-trimethyl-4-oxohexanamide.

Molecular Properties

Compound NameN,5,5-trimethyl-4-oxohexanamide
PubChem CID134590722
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,5,5-trimethyl-4-oxohexanamide
SMILESCNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)7(11)5-6-8(12)10-4/h5-6H2,1-4H3,(H,10,12)
InChIKeyREZWSEPHOACYLG-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-4-oxohexanamide?
The IUPAC name of N,5,5-trimethyl-4-oxohexanamide (CID 134590722) is N,5,5-trimethyl-4-oxohexanamide.
What is the SMILES notation for N,5,5-trimethyl-4-oxohexanamide?
The canonical SMILES for N,5,5-trimethyl-4-oxohexanamide is CNC(=O)CCC(=O)C(C)(C)C.
What is the InChIKey of N,5,5-trimethyl-4-oxohexanamide?
The InChIKey is REZWSEPHOACYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)7(11)5-6-8(12)10-4/h5-6H2,1-4H3,(H,10,12).
What are the key properties of N,5,5-trimethyl-4-oxohexanamide?
N,5,5-trimethyl-4-oxohexanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-4-oxohexanamide is sourced from PubChem (CID 134590722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).