chempirical

N-Octanoyl-N-methylglucamine

C15H31NO6CAS 85316-98-9321.41 g/mol

Open in Covalent MOL file
ONOHOHOHOHOH
AlcoholAmide

Properties

Molecular formula
C15H31NO6
Molar mass
321.41 g/mol
Exact mass
321.2151 Da
logP
-0.76Crippen estimate
Polar surface area
121.5 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
12
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
85316-98-9
SMILES
CCCCCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey
SBWGZAXBCCNRTM-CTHBEMJXSA-N
InChI
InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3/t11-,12+,14+,15+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • D-Glucitol, 1-deoxy-1-[methyl(1-oxooctyl)amino]-
  • 1-Deoxy-1-[methyl(1-oxooctyl)amino]-D-glucitol
  • MEGA 8
  • 1-Deoxy-1-(N-methyloctanamido)-D-glucitol
  • N-Methyl-N-octanoylglucamine
  • N-Octanoyl-N-methyl-D-glucamine
  • Omega

Work with N-Octanoyl-N-methylglucamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lauroylsarcosine97-78-949 % similar N-Octylglucamine23323-37-746 % similar Lauric acid diethanolamide120-40-146 % similar N,N-Dimethyldecanamide14433-76-244 % similar N-Oleoylsarcosine110-25-843 % similar Sodium lauroyl sarcosinate137-16-643 % similar Miglustat72599-27-043 % similar N,N-Dimethylhexanamide5830-30-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook