(3R)-3-acetyl-5,5-dimethylhexanamide

C10H19NO2 — CID 142089595

IUPAC(3R)-3-acetyl-5,5-dimethylhexanamide
SMILESCC(=O)[C@@H](CC(N)=O)CC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(12)8(5-9(11)13)6-10(2,3)4/h8H,5-6H2,1-4H3,(H2,11,13)/t8-/m0/s1
InChIKeyOZILQZNPOGNYGC-QMMMGPOBSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds4

About (3R)-3-acetyl-5,5-dimethylhexanamide

(3R)-3-acetyl-5,5-dimethylhexanamide (PubChem CID 142089595) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-3-acetyl-5,5-dimethylhexanamide.

Molecular Properties

Compound Name(3R)-3-acetyl-5,5-dimethylhexanamide
PubChem CID142089595
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R)-3-acetyl-5,5-dimethylhexanamide
SMILESCC(=O)[C@@H](CC(N)=O)CC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(12)8(5-9(11)13)6-10(2,3)4/h8H,5-6H2,1-4H3,(H2,11,13)/t8-/m0/s1
InChIKeyOZILQZNPOGNYGC-QMMMGPOBSA-N
XLogP1.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetyl-5,5-dimethylhexanamide?
The IUPAC name of (3R)-3-acetyl-5,5-dimethylhexanamide (CID 142089595) is (3R)-3-acetyl-5,5-dimethylhexanamide.
What is the SMILES notation for (3R)-3-acetyl-5,5-dimethylhexanamide?
The canonical SMILES for (3R)-3-acetyl-5,5-dimethylhexanamide is CC(=O)[C@@H](CC(N)=O)CC(C)(C)C.
What is the InChIKey of (3R)-3-acetyl-5,5-dimethylhexanamide?
The InChIKey is OZILQZNPOGNYGC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(12)8(5-9(11)13)6-10(2,3)4/h8H,5-6H2,1-4H3,(H2,11,13)/t8-/m0/s1.
What are the key properties of (3R)-3-acetyl-5,5-dimethylhexanamide?
(3R)-3-acetyl-5,5-dimethylhexanamide has a molecular weight of 185.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetyl-5,5-dimethylhexanamide is sourced from PubChem (CID 142089595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).