2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide

C17H28N2O4 — CID 54642389

IUPAC2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide
SMILESCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C17H28N2O4/c1-12(21)19-15-8-7-14(23-16(15)11-20)9-17(22)18-10-13-5-3-2-4-6-13/h7-8,13-16,20H,2-6,9-11H2,1H3,(H,18,22)(H,19,21)/t14-,15-,16-/m1/s1
InChIKeyYUPASXVMZIVORB-BZUAXINKSA-N
MW324.42 g/mol
LogP0.89
Rot. Bonds6

About 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide

2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 54642389) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID54642389
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide
SMILESCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C17H28N2O4/c1-12(21)19-15-8-7-14(23-16(15)11-20)9-17(22)18-10-13-5-3-2-4-6-13/h7-8,13-16,20H,2-6,9-11H2,1H3,(H,18,22)(H,19,21)/t14-,15-,16-/m1/s1
InChIKeyYUPASXVMZIVORB-BZUAXINKSA-N
XLogP0.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide 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

N-[(2S,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxane-4-carboxamide
CID 54640925
N-(cyclohexylmethyl)-2-[(2S,3S,6R)-3-[(3-fluorophenyl)carbamoylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 54638664
N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
CID 54641494
methyl 2-[(2S,3R,6S)-3-(cyclohexylcarbamoylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382586
N-[(2R,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54644837
N-[(2R,3R,6S)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54644839
N-(cyclopropylmethyl)-2-[(2R,3S,6R)-3-[(3-fluorophenyl)carbamoylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 54645000
2-[(2S,3R,6S)-3-(cyclohexylcarbamoylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
CID 54645559
N-[(2R,3R,6S)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54645502
N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6S)-3-(cyclohexylcarbamoylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 54642584
methyl 2-[(2S,3R,6S)-2-(hydroxymethyl)-3-(propanoylamino)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 54639361
N-cyclohexyl-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 54639976

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide (CID 54642389) is 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide is CC(=O)N[C@@H]1C=C[C@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO.
What is the InChIKey of 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is YUPASXVMZIVORB-BZUAXINKSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(21)19-15-8-7-14(23-16(15)11-20)9-17(22)18-10-13-5-3-2-4-6-13/h7-8,13-16,20H,2-6,9-11H2,1H3,(H,18,22)(H,19,21)/t14-,15-,16-/m1/s1.
What are the key properties of 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide?
2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,6S)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 54642389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).