2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide

C11H20N4O3 — CID 158768916

IUPAC2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide
SMILESCCC1O[C@@H](O)C(NC(=O)CN=[N+]=[N-])[C@@H](C)[C@@H]1C
InChIInChI=1S/C11H20N4O3/c1-4-8-6(2)7(3)10(11(17)18-8)14-9(16)5-13-15-12/h6-8,10-11,17H,4-5H2,1-3H3,(H,14,16)/t6-,7-,8?,10?,11+/m0/s1
InChIKeyZPPDHBVECSJMHZ-NJHFLUBISA-N
MW256.31 g/mol
LogP1.18
Rot. Bonds4

About 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide

2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide (PubChem CID 158768916) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide.

Molecular Properties

Compound Name2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide
PubChem CID158768916
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide
SMILESCCC1O[C@@H](O)C(NC(=O)CN=[N+]=[N-])[C@@H](C)[C@@H]1C
InChIInChI=1S/C11H20N4O3/c1-4-8-6(2)7(3)10(11(17)18-8)14-9(16)5-13-15-12/h6-8,10-11,17H,4-5H2,1-3H3,(H,14,16)/t6-,7-,8?,10?,11+/m0/s1
InChIKeyZPPDHBVECSJMHZ-NJHFLUBISA-N
XLogP1.18
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91032840
2-azido-N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 101272161
2-azido-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718648
[(3S,4S)-6-acetyloxy-5-[(2-azidoacetyl)amino]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S)-6-acetyloxy-5-[(2-azidoacetyl)amino]-3,4-dimethyloxan-2-yl]methyl acetate;[(4S,5S)-3-[(2-azidoacetyl)amino]-6-ethyl-4,5-dimethyloxan-2-yl] acetate
CID 158478756
2-azido-N-[(4S,5S)-6-ethyl-4,5-dimethyl-2-[phenyl-[4-(propan-2-ylideneamino)phenyl]methoxy]oxan-3-yl]acetamide
CID 159737529
[(3R,4S)-5-acetamido-2-(azidomethyl)-6-hydroxy-3-methyloxan-4-yl] acetate
CID 122493863
N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide
CID 165084162
N-[(3R,4R,5R,6R)-6-(azidomethyl)-2,4,5-trihydroxyoxan-3-yl]-2-deuterioacetamide
CID 155589487
(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063589
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide
CID 59383604

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide?
The IUPAC name of 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide (CID 158768916) is 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide.
What is the SMILES notation for 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide?
The canonical SMILES for 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide is CCC1O[C@@H](O)C(NC(=O)CN=[N+]=[N-])[C@@H](C)[C@@H]1C.
What is the InChIKey of 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide?
The InChIKey is ZPPDHBVECSJMHZ-NJHFLUBISA-N. The full InChI is InChI=1S/C11H20N4O3/c1-4-8-6(2)7(3)10(11(17)18-8)14-9(16)5-13-15-12/h6-8,10-11,17H,4-5H2,1-3H3,(H,14,16)/t6-,7-,8?,10?,11+/m0/s1.
What are the key properties of 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide?
2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide is sourced from PubChem (CID 158768916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).