N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide

C10H21NO6 — CID 15929707

IUPACN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
SMILESCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H21NO6/c1-3-8(15)11(2)4-6(13)9(16)10(17)7(14)5-12/h6-7,9-10,12-14,16-17H,3-5H2,1-2H3/t6-,7+,9+,10+/m0/s1
InChIKeyUOBOGCNVRZGIAZ-MVHNUAHISA-N
MW251.28 g/mol
LogP-2.71
Rot. Bonds7

About N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide

N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide (PubChem CID 15929707) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
PubChem CID15929707
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC NameN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
SMILESCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H21NO6/c1-3-8(15)11(2)4-6(13)9(16)10(17)7(14)5-12/h6-7,9-10,12-14,16-17H,3-5H2,1-2H3/t6-,7+,9+,10+/m0/s1
InChIKeyUOBOGCNVRZGIAZ-MVHNUAHISA-N
XLogP-2.71
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-2.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
The IUPAC name of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide (CID 15929707) is N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide.
What is the SMILES notation for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
The canonical SMILES for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide is CCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
The InChIKey is UOBOGCNVRZGIAZ-MVHNUAHISA-N. The full InChI is InChI=1S/C10H21NO6/c1-3-8(15)11(2)4-6(13)9(16)10(17)7(14)5-12/h6-7,9-10,12-14,16-17H,3-5H2,1-2H3/t6-,7+,9+,10+/m0/s1.
What are the key properties of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide has a molecular weight of 251.28 g/mol, XLogP of -2.71, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide is sourced from PubChem (CID 15929707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).