N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide

C11H21NO6 — CID 54268515

IUPACN-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide
SMILESCOC[C@@H](O)[C@@H](O)[C@H](OC)[C@H](C=O)N(C)C(C)=O
InChIInChI=1S/C11H21NO6/c1-7(14)12(2)8(5-13)11(18-4)10(16)9(15)6-17-3/h5,8-11,15-16H,6H2,1-4H3/t8-,9+,10+,11+/m0/s1
InChIKeyRIMADNTXUNEDPD-LNFKQOIKSA-N
MW263.29 g/mol
LogP-1.58
Rot. Bonds8

About N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide

N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide (PubChem CID 54268515) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide
PubChem CID54268515
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC NameN-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide
SMILESCOC[C@@H](O)[C@@H](O)[C@H](OC)[C@H](C=O)N(C)C(C)=O
InChIInChI=1S/C11H21NO6/c1-7(14)12(2)8(5-13)11(18-4)10(16)9(15)6-17-3/h5,8-11,15-16H,6H2,1-4H3/t8-,9+,10+,11+/m0/s1
InChIKeyRIMADNTXUNEDPD-LNFKQOIKSA-N
XLogP-1.58
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide
CID 19757608
2,5-dihydroxy-3,4,6-trimethoxyhexanal
CID 18533991
(2R,3S,4R,5R)-4,5-dihydroxy-3-methoxy-2,6-bis(trideuteriomethoxy)hexanal
CID 88673792
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] 2-oxopropanoate
CID 22871600
3,4-dihydroxy-5-methoxypentan-2-one
CID 126497812
[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate
CID 14825854
4-[2-[2-[(2R,3R,4R,5R)-2-[acetyl(methyl)amino]-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid
CID 22823824
(4R)-1-methoxypentane-2,3,4-triol
CID 174089991
4-hydroxy-3,5-dimethoxypentanal
CID 18716519
(4R)-4-hydroxy-3,5-dimethoxypentanal
CID 88555944
4-[[2-[[2-[(2R,3R,4R,5R)-2-[acetyl(methyl)amino]-4,5,6-trihydroxy-1-oxohexan-3-yl]oxyacetyl]amino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 22823826
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide?
The IUPAC name of N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide (CID 54268515) is N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide is COC[C@@H](O)[C@@H](O)[C@H](OC)[C@H](C=O)N(C)C(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide?
The InChIKey is RIMADNTXUNEDPD-LNFKQOIKSA-N. The full InChI is InChI=1S/C11H21NO6/c1-7(14)12(2)8(5-13)11(18-4)10(16)9(15)6-17-3/h5,8-11,15-16H,6H2,1-4H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide?
N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide has a molecular weight of 263.29 g/mol, XLogP of -1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide is sourced from PubChem (CID 54268515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).