2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide

C15H27NO2 — CID 111464407

IUPAC2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CC2(O)CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-12-6-5-7-13(10-12)16-14(17)11-15(18)8-3-2-4-9-15/h12-13,18H,2-11H2,1H3,(H,16,17)
InChIKeyLKXJROBDWRNEQQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.77
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide

2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide (PubChem CID 111464407) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
PubChem CID111464407
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CC2(O)CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-12-6-5-7-13(10-12)16-14(17)11-15(18)8-3-2-4-9-15/h12-13,18H,2-11H2,1H3,(H,16,17)
InChIKeyLKXJROBDWRNEQQ-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxycyclopentyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 111430402
N-(4,4-dimethylcyclohexyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540205
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
N-cyclohexyl-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317870
4-amino-3-methyl-N-(3-methylcyclohexyl)butanamide
CID 81071155
2-(1-hydroxycyclohexyl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 111331748
4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
CID 119716283
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
(3-methylcyclohexyl)carbamic acid
CID 67410451
2-(4-aminocyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 62781685
1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111540286
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536839

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide (CID 111464407) is 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide is CC1CCCC(NC(=O)CC2(O)CCCCC2)C1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide?
The InChIKey is LKXJROBDWRNEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-6-5-7-13(10-12)16-14(17)11-15(18)8-3-2-4-9-15/h12-13,18H,2-11H2,1H3,(H,16,17).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide?
2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide is sourced from PubChem (CID 111464407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).