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

C18H37NO6 — CID 101193409

IUPACN-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C18H37NO6/c1-2-3-4-5-6-7-8-9-10-11-16(23)19-12-14(21)17(24)18(25)15(22)13-20/h14-15,17-18,20-22,24-25H,2-13H2,1H3,(H,19,23)/t14-,15+,17-,18-/m1/s1
InChIKeyINIXCAVGMNJUHL-CYGHRXIMSA-N
MW363.50 g/mol
LogP0.46
Rot. Bonds16

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

N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide (PubChem CID 101193409) has the molecular formula C18H37NO6 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
PubChem CID101193409
Molecular FormulaC18H37NO6
Molecular Weight363.50 g/mol
Exact Mass363.26
IUPAC NameN-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C18H37NO6/c1-2-3-4-5-6-7-8-9-10-11-16(23)19-12-14(21)17(24)18(25)15(22)13-20/h14-15,17-18,20-22,24-25H,2-13H2,1H3,(H,19,23)/t14-,15+,17-,18-/m1/s1
InChIKeyINIXCAVGMNJUHL-CYGHRXIMSA-N
XLogP0.46
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 50.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 11079412
5-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexanamide
CID 155426705
ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
CID 171849271
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide
CID 57405062
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide
CID 57405064
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]undecanamide
CID 141113312
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]nonanamide
CID 141113307
2,2-dioctyl-N,N'-bis[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]propanediamide
CID 11331247
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide
CID 141113311
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;tetradecanoic acid
CID 122611223
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexadecanamide
CID 88698330

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide?
The IUPAC name of N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide (CID 101193409) is N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide.
What is the SMILES notation for N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide?
The canonical SMILES for N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide is CCCCCCCCCCCC(=O)NC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide?
The InChIKey is INIXCAVGMNJUHL-CYGHRXIMSA-N. The full InChI is InChI=1S/C18H37NO6/c1-2-3-4-5-6-7-8-9-10-11-16(23)19-12-14(21)17(24)18(25)15(22)13-20/h14-15,17-18,20-22,24-25H,2-13H2,1H3,(H,19,23)/t14-,15+,17-,18-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide?
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide has a molecular weight of 363.50 g/mol, XLogP of 0.46, 16 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide is sourced from PubChem (CID 101193409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).