[(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate

C20H35NO4 — CID 102148290

IUPAC[(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate
SMILESCCC[C@H]1C[C@@H](NC(C)=O)C[C@@H](C[C@@H](OC(C)=O)C2CCCCC2)O1
InChIInChI=1S/C20H35NO4/c1-4-8-18-11-17(21-14(2)22)12-19(25-18)13-20(24-15(3)23)16-9-6-5-7-10-16/h16-20H,4-13H2,1-3H3,(H,21,22)/t17-,18+,19+,20-/m1/s1
InChIKeyIJVCYDKPNZPEEQ-FUMNGEBKSA-N
MW353.50 g/mol
LogP3.74
Rot. Bonds7

About [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate

[(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate (PubChem CID 102148290) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate
PubChem CID102148290
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name[(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate
SMILESCCC[C@H]1C[C@@H](NC(C)=O)C[C@@H](C[C@@H](OC(C)=O)C2CCCCC2)O1
InChIInChI=1S/C20H35NO4/c1-4-8-18-11-17(21-14(2)22)12-19(25-18)13-20(24-15(3)23)16-9-6-5-7-10-16/h16-20H,4-13H2,1-3H3,(H,21,22)/t17-,18+,19+,20-/m1/s1
InChIKeyIJVCYDKPNZPEEQ-FUMNGEBKSA-N
XLogP3.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate with MolForge

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Related Compounds

[(1R)-2-[(2S,4S,6R)-4-acetamido-6-tert-butyloxan-2-yl]-1-cyclohexylethyl] acetate
CID 102148289
[(1R)-2-[(2S,6R)-6-tert-butyl-4-[(2-methoxyacetyl)amino]oxan-2-yl]-1-cyclohexylethyl] acetate
CID 154720732
[(1R)-2-[(2R,3S,4R,6R)-4-acetamido-6-tert-butyl-3-methyloxan-2-yl]-1-cyclohexylethyl] acetate
CID 102148298
1-cyclohexylbut-3-enyl acetate
CID 11481011
ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate
CID 58212173
methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate
CID 10689646
1,2-bis(4-aminocyclohexyl)ethyl acetate
CID 175320466
butanoic acid;1-cyclohexylethyl acetate
CID 175401865
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
1-cyclopentylethyl acetate
CID 12705472
N-[(2S,4R,6S)-2-(4-methoxy-2,3-dimethylphenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide
CID 50971379
[(1R,3S)-1-cyclohexyl-3-hydroxy-3-phenylpropyl] acetate
CID 10802419

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate?
The IUPAC name of [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate (CID 102148290) is [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate.
What is the SMILES notation for [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate?
The canonical SMILES for [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate is CCC[C@H]1C[C@@H](NC(C)=O)C[C@@H](C[C@@H](OC(C)=O)C2CCCCC2)O1.
What is the InChIKey of [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate?
The InChIKey is IJVCYDKPNZPEEQ-FUMNGEBKSA-N. The full InChI is InChI=1S/C20H35NO4/c1-4-8-18-11-17(21-14(2)22)12-19(25-18)13-20(24-15(3)23)16-9-6-5-7-10-16/h16-20H,4-13H2,1-3H3,(H,21,22)/t17-,18+,19+,20-/m1/s1.
What are the key properties of [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate?
[(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate has a molecular weight of 353.50 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate is sourced from PubChem (CID 102148290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).