N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide

C22H28N2O2 — CID 133120117

IUPACN-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C2CCCCC2)O[C@@H](c2cnc3ccccc3c2)C1
InChIInChI=1S/C22H28N2O2/c1-15(25)24-19-12-21(16-7-3-2-4-8-16)26-22(13-19)18-11-17-9-5-6-10-20(17)23-14-18/h5-6,9-11,14,16,19,21-22H,2-4,7-8,12-13H2,1H3,(H,24,25)/t19-,21-,22+/m0/s1
InChIKeyCYXYPMJOXNZFTN-ILWGZMRPSA-N
MW352.48 g/mol
LogP4.54
Rot. Bonds3

About N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide

N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide (PubChem CID 133120117) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide
PubChem CID133120117
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C2CCCCC2)O[C@@H](c2cnc3ccccc3c2)C1
InChIInChI=1S/C22H28N2O2/c1-15(25)24-19-12-21(16-7-3-2-4-8-16)26-22(13-19)18-11-17-9-5-6-10-20(17)23-14-18/h5-6,9-11,14,16,19,21-22H,2-4,7-8,12-13H2,1H3,(H,24,25)/t19-,21-,22+/m0/s1
InChIKeyCYXYPMJOXNZFTN-ILWGZMRPSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide
CID 50958809
N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide
CID 50972806
N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide
CID 50979481
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
2-quinolin-3-ylcyclopropane-1-carboxylic acid
CID 67290101
N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide
CID 50959656
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)quinoxaline-2-carboxamide
CID 45352272
cyclopentyl(quinolin-3-yl)methanone
CID 54861205
N-cycloheptylcinnoline-3-carboxamide
CID 110705102
2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride
CID 87121205
N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469
N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 110132999

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide (CID 133120117) is N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](C2CCCCC2)O[C@@H](c2cnc3ccccc3c2)C1.
What is the InChIKey of N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide?
The InChIKey is CYXYPMJOXNZFTN-ILWGZMRPSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15(25)24-19-12-21(16-7-3-2-4-8-16)26-22(13-19)18-11-17-9-5-6-10-20(17)23-14-18/h5-6,9-11,14,16,19,21-22H,2-4,7-8,12-13H2,1H3,(H,24,25)/t19-,21-,22+/m0/s1.
What are the key properties of N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide?
N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide is sourced from PubChem (CID 133120117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).