2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide

C15H25NO4 — CID 10589049

IUPAC2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide
SMILESC[C@@H]1CC([C@H]2C[C@@H](CC(N)=O)CC(=O)O2)[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C15H25NO4/c1-8-3-9(2)15(19)11(4-8)12-5-10(6-13(16)17)7-14(18)20-12/h8-12,15,19H,3-7H2,1-2H3,(H2,16,17)/t8-,9-,10-,11?,12+,15-/m0/s1
InChIKeyFCCDKDAZOGTOQB-SWXCHQGASA-N
MW283.37 g/mol
LogP1.23
Rot. Bonds3

About 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide

2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide (PubChem CID 10589049) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide
PubChem CID10589049
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide
SMILESC[C@@H]1CC([C@H]2C[C@@H](CC(N)=O)CC(=O)O2)[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C15H25NO4/c1-8-3-9(2)15(19)11(4-8)12-5-10(6-13(16)17)7-14(18)20-12/h8-12,15,19H,3-7H2,1-2H3,(H2,16,17)/t8-,9-,10-,11?,12+,15-/m0/s1
InChIKeyFCCDKDAZOGTOQB-SWXCHQGASA-N
XLogP1.23
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide?
The IUPAC name of 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide (CID 10589049) is 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide.
What is the SMILES notation for 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide?
The canonical SMILES for 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide is C[C@@H]1CC([C@H]2C[C@@H](CC(N)=O)CC(=O)O2)[C@@H](O)[C@@H](C)C1.
What is the InChIKey of 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide?
The InChIKey is FCCDKDAZOGTOQB-SWXCHQGASA-N. The full InChI is InChI=1S/C15H25NO4/c1-8-3-9(2)15(19)11(4-8)12-5-10(6-13(16)17)7-14(18)20-12/h8-12,15,19H,3-7H2,1-2H3,(H2,16,17)/t8-,9-,10-,11?,12+,15-/m0/s1.
What are the key properties of 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide?
2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]-6-oxooxan-4-yl]acetamide is sourced from PubChem (CID 10589049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).