N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide

C11H22NO6+ — CID 154469407

IUPACN,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide
SMILESC[C+](C)C(=O)N(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C11H22NO6/c1-6(2)11(18)12(3)4-7(14)9(16)10(17)8(15)5-13/h7-10,13-17H,4-5H2,1-3H3/q+1
InChIKeyDTSZMFYNKRWFIO-UHFFFAOYSA-N
MW264.30 g/mol
LogP-2.51
Rot. Bonds7

About N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide

N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide (PubChem CID 154469407) has the molecular formula C11H22NO6+ and a molecular weight of 264.30 g/mol. Its IUPAC name is N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide
PubChem CID154469407
Molecular FormulaC11H22NO6+
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide
SMILESC[C+](C)C(=O)N(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C11H22NO6/c1-6(2)11(18)12(3)4-7(14)9(16)10(17)8(15)5-13/h7-10,13-17H,4-5H2,1-3H3/q+1
InChIKeyDTSZMFYNKRWFIO-UHFFFAOYSA-N
XLogP-2.51
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-2.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
CID 13034825
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioate
CID 7059586
ethane;(Z)-4-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-4-oxobut-2-enoic acid
CID 144965055
6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane
CID 171505184
(2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride
CID 169438924
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 98049415
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 95566091
2-cyclohexyl-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)acetamide
CID 20608406

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide?
The IUPAC name of N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide (CID 154469407) is N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide.
What is the SMILES notation for N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide?
The canonical SMILES for N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide is C[C+](C)C(=O)N(C)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide?
The InChIKey is DTSZMFYNKRWFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO6/c1-6(2)11(18)12(3)4-7(14)9(16)10(17)8(15)5-13/h7-10,13-17H,4-5H2,1-3H3/q+1.
What are the key properties of N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide?
N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide has a molecular weight of 264.30 g/mol, XLogP of -2.51, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide is sourced from PubChem (CID 154469407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).