N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide

C24H50NO4PS — CID 177366164

IUPACN-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCCCCOP(=O)(OC)SC
InChIInChI=1S/C24H50NO4PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(26)25-22-19-16-17-20-23-29-30(27,28-2)31-3/h4-23H2,1-3H3,(H,25,26)
InChIKeyHAIRDZJJEWKTPM-UHFFFAOYSA-N
MW479.71 g/mol
LogP8.28
Rot. Bonds24

About N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide

N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide (PubChem CID 177366164) has the molecular formula C24H50NO4PS and a molecular weight of 479.71 g/mol. Its IUPAC name is N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide.

Molecular Properties

Compound NameN-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide
PubChem CID177366164
Molecular FormulaC24H50NO4PS
Molecular Weight479.71 g/mol
Exact Mass479.32
IUPAC NameN-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCCCCOP(=O)(OC)SC
InChIInChI=1S/C24H50NO4PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(26)25-22-19-16-17-20-23-29-30(27,28-2)31-3/h4-23H2,1-3H3,(H,25,26)
InChIKeyHAIRDZJJEWKTPM-UHFFFAOYSA-N
XLogP8.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.71
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
methyl-[6-(pentacosanoylamino)hexoxy]phosphinic acid
CID 167537809
tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid
CID 170389736
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide?
The IUPAC name of N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide (CID 177366164) is N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide.
What is the SMILES notation for N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide?
The canonical SMILES for N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCCCCCOP(=O)(OC)SC.
What is the InChIKey of N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide?
The InChIKey is HAIRDZJJEWKTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50NO4PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(26)25-22-19-16-17-20-23-29-30(27,28-2)31-3/h4-23H2,1-3H3,(H,25,26).
What are the key properties of N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide?
N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide has a molecular weight of 479.71 g/mol, XLogP of 8.28, 24 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide is sourced from PubChem (CID 177366164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).