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

C16H33NO6 — CID 98049415

IUPACN-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
SMILESCCCCCCCCC(=O)N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13-,15-,16-/m0/s1
InChIKeyGCRLIVCNZWDCDE-SDADXPQNSA-N
MW335.44 g/mol
LogP-0.37
Rot. Bonds13

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

N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide (PubChem CID 98049415) has the molecular formula C16H33NO6 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide.

Molecular Properties

Compound NameN-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
PubChem CID98049415
Molecular FormulaC16H33NO6
Molecular Weight335.44 g/mol
Exact Mass335.23
IUPAC NameN-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
SMILESCCCCCCCCC(=O)N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13-,15-,16-/m0/s1
InChIKeyGCRLIVCNZWDCDE-SDADXPQNSA-N
XLogP-0.37
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 5-0.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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,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
(Z)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)octadec-9-enamide
CID 122549810
N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 22859448
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;tetradecanoic acid
CID 122611223
2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
CID 24760195
(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol
CID 10478004
N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
dodecanoic acid;ethene;hexane-1,2,3,4,5,6-hexol
CID 174898037

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide?
The IUPAC name of N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide (CID 98049415) is N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide.
What is the SMILES notation for N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide?
The canonical SMILES for N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide is CCCCCCCCC(=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,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide?
The InChIKey is GCRLIVCNZWDCDE-SDADXPQNSA-N. The full InChI is InChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13-,15-,16-/m0/s1.
What are the key properties of N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide?
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide has a molecular weight of 335.44 g/mol, XLogP of -0.37, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide is sourced from PubChem (CID 98049415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).