N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

C14H25NO6 — CID 146676895

IUPACN-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCCCCCOC[C@@]12CO[C@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
InChIInChI=1S/C14H25NO6/c1-3-4-5-6-19-7-14-8-20-13(21-14)10(15-9(2)16)11(17)12(14)18/h10-13,17-18H,3-8H2,1-2H3,(H,15,16)/t10-,11-,12-,13-,14+/m1/s1
InChIKeyQZTUXGYJAGWYNA-KSTCHIGDSA-N
MW303.36 g/mol
LogP-0.46
Rot. Bonds7

About N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 146676895) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
PubChem CID146676895
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC NameN-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCCCCCOC[C@@]12CO[C@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
InChIInChI=1S/C14H25NO6/c1-3-4-5-6-19-7-14-8-20-13(21-14)10(15-9(2)16)11(17)12(14)18/h10-13,17-18H,3-8H2,1-2H3,(H,15,16)/t10-,11-,12-,13-,14+/m1/s1
InChIKeyQZTUXGYJAGWYNA-KSTCHIGDSA-N
XLogP-0.46
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The IUPAC name of N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 146676895) is N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.
What is the SMILES notation for N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The canonical SMILES for N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is CCCCCOC[C@@]12CO[C@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O.
What is the InChIKey of N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The InChIKey is QZTUXGYJAGWYNA-KSTCHIGDSA-N. The full InChI is InChI=1S/C14H25NO6/c1-3-4-5-6-19-7-14-8-20-13(21-14)10(15-9(2)16)11(17)12(14)18/h10-13,17-18H,3-8H2,1-2H3,(H,15,16)/t10-,11-,12-,13-,14+/m1/s1.
What are the key properties of N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide has a molecular weight of 303.36 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(pentoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 146676895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).