3,4,5-trihydroxy-2,2-dimethylhexanediamide

C8H16N2O5 — CID 174921699

IUPAC3,4,5-trihydroxy-2,2-dimethylhexanediamide
SMILESCC(C)(C(N)=O)C(O)C(O)C(O)C(N)=O
InChIInChI=1S/C8H16N2O5/c1-8(2,7(10)15)5(13)3(11)4(12)6(9)14/h3-5,11-13H,1-2H3,(H2,9,14)(H2,10,15)
InChIKeyZYNJHMXDPGAHGY-UHFFFAOYSA-N
MW220.23 g/mol
LogP-2.93
Rot. Bonds5

About 3,4,5-trihydroxy-2,2-dimethylhexanediamide

3,4,5-trihydroxy-2,2-dimethylhexanediamide (PubChem CID 174921699) has the molecular formula C8H16N2O5 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3,4,5-trihydroxy-2,2-dimethylhexanediamide.

Molecular Properties

Compound Name3,4,5-trihydroxy-2,2-dimethylhexanediamide
PubChem CID174921699
Molecular FormulaC8H16N2O5
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name3,4,5-trihydroxy-2,2-dimethylhexanediamide
SMILESCC(C)(C(N)=O)C(O)C(O)C(O)C(N)=O
InChIInChI=1S/C8H16N2O5/c1-8(2,7(10)15)5(13)3(11)4(12)6(9)14/h3-5,11-13H,1-2H3,(H2,9,14)(H2,10,15)
InChIKeyZYNJHMXDPGAHGY-UHFFFAOYSA-N
XLogP-2.93
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-2.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trihydroxy-2,2-dimethylhexanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxy-2,2-dimethylhexanediamide?
The IUPAC name of 3,4,5-trihydroxy-2,2-dimethylhexanediamide (CID 174921699) is 3,4,5-trihydroxy-2,2-dimethylhexanediamide.
What is the SMILES notation for 3,4,5-trihydroxy-2,2-dimethylhexanediamide?
The canonical SMILES for 3,4,5-trihydroxy-2,2-dimethylhexanediamide is CC(C)(C(N)=O)C(O)C(O)C(O)C(N)=O.
What is the InChIKey of 3,4,5-trihydroxy-2,2-dimethylhexanediamide?
The InChIKey is ZYNJHMXDPGAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-8(2,7(10)15)5(13)3(11)4(12)6(9)14/h3-5,11-13H,1-2H3,(H2,9,14)(H2,10,15).
What are the key properties of 3,4,5-trihydroxy-2,2-dimethylhexanediamide?
3,4,5-trihydroxy-2,2-dimethylhexanediamide has a molecular weight of 220.23 g/mol, XLogP of -2.93, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxy-2,2-dimethylhexanediamide is sourced from PubChem (CID 174921699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).