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

C20H35NO4 — CID 154716137

IUPAC[(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate
SMILESCCC[C@H]1CC(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+/m0/s1
InChIKeyIJVCYDKPNZPEEQ-SEBOWIOWSA-N
MW353.50 g/mol
LogP3.74
Rot. Bonds7

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

[(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate (PubChem CID 154716137) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is [(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate
PubChem CID154716137
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name[(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate
SMILESCCC[C@H]1CC(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+/m0/s1
InChIKeyIJVCYDKPNZPEEQ-SEBOWIOWSA-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,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-2-[(2S,6R)-6-tert-butyl-4-[(2-fluoroacetyl)amino]oxan-2-yl]-1-cyclohexylethyl] acetate
CID 154720730
N-[(2S,4R,6S)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 164631026
N-[(2R*,4S*,6R*)-2-cyclohexyl-6-propyltetrahydro-2H-pyran-4-yl]acetamide
CID 50980440
[(1R)-2-[(2S,6R)-4-acetamido-6-tert-butyloxan-2-yl]-1-cyclohexylethyl] acetate
CID 154716240
[(1R)-2-[(2S,6R)-6-tert-butyl-4-(propanoylamino)oxan-2-yl]-1-cyclohexylethyl] acetate
CID 154716241
[(1R)-2-[(2S,6R)-6-tert-butyl-4-(2-methylpropanoylamino)oxan-2-yl]-1-cyclohexylethyl] acetate
CID 154716247
[(1R)-2-[(2S,6R)-4-[(2-bromoacetyl)amino]-6-tert-butyloxan-2-yl]-1-cyclohexylethyl] acetate
CID 154716248
[(1R)-2-[(2S,6R)-6-tert-butyl-4-(2,2-dimethylpropanoylamino)oxan-2-yl]-1-cyclohexylethyl] acetate
CID 154720729
[(1R)-2-[(2S,6R)-6-tert-butyl-4-[(2-chloroacetyl)amino]oxan-2-yl]-1-cyclohexylethyl] acetate
CID 154720731
[(1R)-2-[(2S,6R)-6-tert-butyl-4-[(2-methoxyacetyl)amino]oxan-2-yl]-1-cyclohexylethyl] acetate
CID 154720732
[(1R)-2-[(2S,6R)-4-(but-3-enoylamino)-6-tert-butyloxan-2-yl]-1-cyclohexylethyl] acetate
CID 154721401
[(1R)-2-[(2S,6R)-6-tert-butyl-4-(prop-2-enoylamino)oxan-2-yl]-1-cyclohexylethyl] acetate
CID 154721408

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate?
The IUPAC name of [(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate (CID 154716137) is [(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate.
What is the SMILES notation for [(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate?
The canonical SMILES for [(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate is CCC[C@H]1CC(NC(C)=O)C[C@@H](C[C@@H](OC(C)=O)C2CCCCC2)O1.
What is the InChIKey of [(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate?
The InChIKey is IJVCYDKPNZPEEQ-SEBOWIOWSA-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+/m0/s1.
What are the key properties of [(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate?
[(1R)-2-[(2S,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,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate is sourced from PubChem (CID 154716137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).