N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

C11H19NO6 — CID 163683883

IUPACN-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESC=CCN(C(C)=O)[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C11H19NO6/c1-3-4-12(6(2)14)11-10(17)9(16)8(15)7(5-13)18-11/h3,7-11,13,15-17H,1,4-5H2,2H3/t7-,8-,9?,10?,11-/m1/s1
InChIKeyJNDAMLBGNAAATJ-NBQXLRJMSA-N
MW261.27 g/mol
LogP-2.18
Rot. Bonds4

About N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide (PubChem CID 163683883) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
PubChem CID163683883
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC NameN-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESC=CCN(C(C)=O)[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C11H19NO6/c1-3-4-12(6(2)14)11-10(17)9(16)8(15)7(5-13)18-11/h3,7-11,13,15-17H,1,4-5H2,2H3/t7-,8-,9?,10?,11-/m1/s1
InChIKeyJNDAMLBGNAAATJ-NBQXLRJMSA-N
XLogP-2.18
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-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

Related Compounds

N-benzyl-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 10903008
[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[acetyl(prop-2-enyl)amino]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
CID 10508440
N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide
CID 89140828
N-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide
CID 101465207
2-[amino-[(Z)-2-aminoprop-1-enyl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 164585397
N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide
CID 54363629
[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl] acetate
CID 90368674
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 162127183
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 14259408
acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67893227
N-octadecyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dodecanamide
CID 13230937
N-dodecyl-N-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
CID 70444988

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
The IUPAC name of N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide (CID 163683883) is N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide.
What is the SMILES notation for N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
The canonical SMILES for N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide is C=CCN(C(C)=O)[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O.
What is the InChIKey of N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
The InChIKey is JNDAMLBGNAAATJ-NBQXLRJMSA-N. The full InChI is InChI=1S/C11H19NO6/c1-3-4-12(6(2)14)11-10(17)9(16)8(15)7(5-13)18-11/h3,7-11,13,15-17H,1,4-5H2,2H3/t7-,8-,9?,10?,11-/m1/s1.
What are the key properties of N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide has a molecular weight of 261.27 g/mol, XLogP of -2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide is sourced from PubChem (CID 163683883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).