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

C23H47NO6 — CID 15775348

IUPACN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C23H47NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(28)24(2)17-19(26)22(29)23(30)20(27)18-25/h19-20,22-23,25-27,29-30H,3-18H2,1-2H3/t19-,20+,22+,23+/m0/s1
InChIKeyZUHQILQTAOLOMA-KKSHJYNMSA-N
MW433.63 g/mol
LogP2.36
Rot. Bonds20

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

N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide (PubChem CID 15775348) has the molecular formula C23H47NO6 and a molecular weight of 433.63 g/mol. Its IUPAC name is N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide.

Molecular Properties

Compound NameN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
PubChem CID15775348
Molecular FormulaC23H47NO6
Molecular Weight433.63 g/mol
Exact Mass433.34
IUPAC NameN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C23H47NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(28)24(2)17-19(26)22(29)23(30)20(27)18-25/h19-20,22-23,25-27,29-30H,3-18H2,1-2H3/t19-,20+,22+,23+/m0/s1
InChIKeyZUHQILQTAOLOMA-KKSHJYNMSA-N
XLogP2.36
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.63
LogP ≤ 52.36
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-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 98049415
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,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide?
The IUPAC name of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide (CID 15775348) is N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide.
What is the SMILES notation for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide?
The canonical SMILES for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide is CCCCCCCCCCCCCCCC(=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]hexadecanamide?
The InChIKey is ZUHQILQTAOLOMA-KKSHJYNMSA-N. The full InChI is InChI=1S/C23H47NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(28)24(2)17-19(26)22(29)23(30)20(27)18-25/h19-20,22-23,25-27,29-30H,3-18H2,1-2H3/t19-,20+,22+,23+/m0/s1.
What are the key properties of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide?
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide has a molecular weight of 433.63 g/mol, XLogP of 2.36, 20 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]hexadecanamide is sourced from PubChem (CID 15775348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).