2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

C12H23NO2 — CID 68536872

IUPAC2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(N)=O
InChIInChI=1S/C12H23NO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H2,13,14)/t9-,10+,11+/m0/s1
InChIKeyOCVVQDCSLYBENH-HBNTYKKESA-N
MW213.32 g/mol
LogP1.95
Rot. Bonds4

About 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (PubChem CID 68536872) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.

Molecular Properties

Compound Name2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
PubChem CID68536872
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(N)=O
InChIInChI=1S/C12H23NO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H2,13,14)/t9-,10+,11+/m0/s1
InChIKeyOCVVQDCSLYBENH-HBNTYKKESA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
CID 63416740
2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
CID 152752419
ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate
CID 11023446
N-(2-hydroxyethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 19762372
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
[(1R,2S)-2-hydroxycyclohexyl] 2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 92643363
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The IUPAC name of 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (CID 68536872) is 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.
What is the SMILES notation for 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The canonical SMILES for 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(N)=O.
What is the InChIKey of 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The InChIKey is OCVVQDCSLYBENH-HBNTYKKESA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H2,13,14)/t9-,10+,11+/m0/s1.
What are the key properties of 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide has a molecular weight of 213.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is sourced from PubChem (CID 68536872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).