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

C11H23NO6 — CID 15929708

IUPACN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide
SMILESCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H23NO6/c1-3-4-9(16)12(2)5-7(14)10(17)11(18)8(15)6-13/h7-8,10-11,13-15,17-18H,3-6H2,1-2H3/t7-,8+,10+,11+/m0/s1
InChIKeyIYWVKPLVTNXSIC-SCVMZPAESA-N
MW265.31 g/mol
LogP-2.32
Rot. Bonds8

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

N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide (PubChem CID 15929708) has the molecular formula C11H23NO6 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide
PubChem CID15929708
Molecular FormulaC11H23NO6
Molecular Weight265.31 g/mol
Exact Mass265.15
IUPAC NameN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide
SMILESCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H23NO6/c1-3-4-9(16)12(2)5-7(14)10(17)11(18)8(15)6-13/h7-8,10-11,13-15,17-18H,3-6H2,1-2H3/t7-,8+,10+,11+/m0/s1
InChIKeyIYWVKPLVTNXSIC-SCVMZPAESA-N
XLogP-2.32
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-2.32
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]butanamide?
The IUPAC name of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide (CID 15929708) is N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide.
What is the SMILES notation for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide?
The canonical SMILES for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide is CCCC(=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]butanamide?
The InChIKey is IYWVKPLVTNXSIC-SCVMZPAESA-N. The full InChI is InChI=1S/C11H23NO6/c1-3-4-9(16)12(2)5-7(14)10(17)11(18)8(15)6-13/h7-8,10-11,13-15,17-18H,3-6H2,1-2H3/t7-,8+,10+,11+/m0/s1.
What are the key properties of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide?
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide has a molecular weight of 265.31 g/mol, XLogP of -2.32, 8 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]butanamide is sourced from PubChem (CID 15929708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).