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

C18H37NO7 — CID 11079412

IUPAC5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
SMILESCCCCCCCC(O)CCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C18H37NO7/c1-2-3-4-5-6-8-13(21)9-7-10-16(24)19-11-14(22)17(25)18(26)15(23)12-20/h13-15,17-18,20-23,25-26H,2-12H2,1H3,(H,19,24)/t13?,14-,15+,17+,18+/m0/s1
InChIKeySTZNKCFMCIZAFL-AGJUIOJISA-N
MW379.49 g/mol
LogP-0.57
Rot. Bonds16

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

5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide (PubChem CID 11079412) has the molecular formula C18H37NO7 and a molecular weight of 379.49 g/mol. Its IUPAC name is 5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide.

Molecular Properties

Compound Name5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
PubChem CID11079412
Molecular FormulaC18H37NO7
Molecular Weight379.49 g/mol
Exact Mass379.26
IUPAC Name5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
SMILESCCCCCCCC(O)CCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C18H37NO7/c1-2-3-4-5-6-8-13(21)9-7-10-16(24)19-11-14(22)17(25)18(26)15(23)12-20/h13-15,17-18,20-23,25-26H,2-12H2,1H3,(H,19,24)/t13?,14-,15+,17+,18+/m0/s1
InChIKeySTZNKCFMCIZAFL-AGJUIOJISA-N
XLogP-0.57
TPSA150.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 5-0.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
5-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexanamide
CID 155426705
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
CID 171849271
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
(2-decyl-1-deuteriotetradecyl) N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate
CID 57062355
5-hydroxy-N-methylundecanamide
CID 12996608
2,2-dioctyl-N,N'-bis[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]propanediamide
CID 11331247
N-[8-[4-(butylamino)butylamino]-7-[[4-(butylamino)butylamino]methyl]octyl]tridecanamide;12-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]-N-tridecyldodecanamide
CID 158471887
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide
CID 57405062
(2S)-2-methyl-N-[(2R)-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]-N'-[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 91616464

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide?
The IUPAC name of 5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide (CID 11079412) is 5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide.
What is the SMILES notation for 5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide?
The canonical SMILES for 5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide is CCCCCCCC(O)CCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide?
The InChIKey is STZNKCFMCIZAFL-AGJUIOJISA-N. The full InChI is InChI=1S/C18H37NO7/c1-2-3-4-5-6-8-13(21)9-7-10-16(24)19-11-14(22)17(25)18(26)15(23)12-20/h13-15,17-18,20-23,25-26H,2-12H2,1H3,(H,19,24)/t13?,14-,15+,17+,18+/m0/s1.
What are the key properties of 5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide?
5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide has a molecular weight of 379.49 g/mol, XLogP of -0.57, 16 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide is sourced from PubChem (CID 11079412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).