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

C26H53NO7 — CID 22859448

IUPACN-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(CCCOC)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C26H53NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24(31)27(18-16-19-34-2)20-22(29)25(32)26(33)23(30)21-28/h22-23,25-26,28-30,32-33H,3-21H2,1-2H3/t22-,23+,25+,26+/m0/s1
InChIKeyARUSHESCRYYOLG-BKJQLSFMSA-N
MW491.71 g/mol
LogP2.77
Rot. Bonds24

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

N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide (PubChem CID 22859448) has the molecular formula C26H53NO7 and a molecular weight of 491.71 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
PubChem CID22859448
Molecular FormulaC26H53NO7
Molecular Weight491.71 g/mol
Exact Mass491.38
IUPAC NameN-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(CCCOC)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C26H53NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24(31)27(18-16-19-34-2)20-22(29)25(32)26(33)23(30)21-28/h22-23,25-26,28-30,32-33H,3-21H2,1-2H3/t22-,23+,25+,26+/m0/s1
InChIKeyARUSHESCRYYOLG-BKJQLSFMSA-N
XLogP2.77
TPSA130.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.71
LogP ≤ 52.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide with MolForge

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Related Compounds

N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octadec-9-enamide
CID 54303731
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985
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,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
N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
CID 18999305
N-(6-hexadecoxy-1,2-dihydroxyhexan-3-yl)-N-(3-methoxypropyl)tetradecanamide
CID 90989964
(2R,3R,4R,5S)-6-[3-methoxypropyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexane-1,2,3,4,5-pentol
CID 122500972
N-octyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide
CID 18649780
N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide
CID 171659044

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide?
The IUPAC name of N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide (CID 22859448) is N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N(CCCOC)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide?
The InChIKey is ARUSHESCRYYOLG-BKJQLSFMSA-N. The full InChI is InChI=1S/C26H53NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24(31)27(18-16-19-34-2)20-22(29)25(32)26(33)23(30)21-28/h22-23,25-26,28-30,32-33H,3-21H2,1-2H3/t22-,23+,25+,26+/m0/s1.
What are the key properties of N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide?
N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide has a molecular weight of 491.71 g/mol, XLogP of 2.77, 24 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide is sourced from PubChem (CID 22859448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).