4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide

C9H17NO2 — CID 144739612

IUPAC4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)(O)CCC1C(N)=O
InChIInChI=1S/C9H17NO2/c1-6-5-9(2,12)4-3-7(6)8(10)11/h6-7,12H,3-5H2,1-2H3,(H2,10,11)
InChIKeyCLJQIHUKPDJJBA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.66
Rot. Bonds1

About 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide

4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 144739612) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID144739612
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)(O)CCC1C(N)=O
InChIInChI=1S/C9H17NO2/c1-6-5-9(2,12)4-3-7(6)8(10)11/h6-7,12H,3-5H2,1-2H3,(H2,10,11)
InChIKeyCLJQIHUKPDJJBA-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,6-trimethylcycloheptane-1-carboxamide
CID 86737466
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol
CID 102278367
4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide
CID 90243249
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane
CID 91164443
1-(3-hydroxy-3,6-dimethyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)ethanone
CID 123440965
cis-(3S,4R)-3,4-diamino-1-methylcyclohexan-1-ol
CID 55285612
4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid
CID 118911768
(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 101073122
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide
CID 93234202
3-amino-2,3-dimethylcyclopentane-1-carboxylic acid
CID 45122086

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide (CID 144739612) is 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide is CC1CC(C)(O)CCC1C(N)=O.
What is the InChIKey of 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is CLJQIHUKPDJJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-5-9(2,12)4-3-7(6)8(10)11/h6-7,12H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide?
4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 144739612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).