3-hydroxy-2,2-dimethylheptanamide

C9H19NO2 — CID 91302287

IUPAC3-hydroxy-2,2-dimethylheptanamide
SMILESCCCCC(O)C(C)(C)C(N)=O
InChIInChI=1S/C9H19NO2/c1-4-5-6-7(11)9(2,3)8(10)12/h7,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyYOIUQNZDUYNBDI-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.05
Rot. Bonds5

About 3-hydroxy-2,2-dimethylheptanamide

3-hydroxy-2,2-dimethylheptanamide (PubChem CID 91302287) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethylheptanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethylheptanamide
PubChem CID91302287
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-hydroxy-2,2-dimethylheptanamide
SMILESCCCCC(O)C(C)(C)C(N)=O
InChIInChI=1S/C9H19NO2/c1-4-5-6-7(11)9(2,3)8(10)12/h7,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyYOIUQNZDUYNBDI-UHFFFAOYSA-N
XLogP1.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-hydroxy-2,2-dimethyldecanoic acid
CID 11413287
2,2-dimethyl-3-pentylbutanediamide
CID 141095306
methyl (3S)-3-hydroxy-2,2-dimethyloctanoate
CID 101168876
2,2,3-trihydroxyheptanoic acid
CID 54223747
(2R,3S)-2-amino-3-hydroxy-2-methyloctanoic acid
CID 44817672
(3R)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380206
2-propylhexanamide
CID 19818979
2,2-dimethylheptane-1,3-diol
CID 57266054
2,9-dibutyldecanediamide
CID 141080467
(3S)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380205
2-methyl-2-methylsulfonylheptan-3-ol
CID 115783263
2-butylpropanediamide
CID 2317243

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethylheptanamide?
The IUPAC name of 3-hydroxy-2,2-dimethylheptanamide (CID 91302287) is 3-hydroxy-2,2-dimethylheptanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethylheptanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethylheptanamide is CCCCC(O)C(C)(C)C(N)=O.
What is the InChIKey of 3-hydroxy-2,2-dimethylheptanamide?
The InChIKey is YOIUQNZDUYNBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-6-7(11)9(2,3)8(10)12/h7,11H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 3-hydroxy-2,2-dimethylheptanamide?
3-hydroxy-2,2-dimethylheptanamide has a molecular weight of 173.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethylheptanamide is sourced from PubChem (CID 91302287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).