tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid

C24H50NO4P — CID 170389736

IUPACtert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCCCCOP(=O)(O)C(C)(C)C
InChIInChI=1S/C24H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-17-20-23(26)25-21-18-15-16-19-22-29-30(27,28)24(2,3)4/h5-22H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyHLMLCPIESYXMKX-UHFFFAOYSA-N
MW447.64 g/mol
LogP7.36
Rot. Bonds20

About tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid

tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid (PubChem CID 170389736) has the molecular formula C24H50NO4P and a molecular weight of 447.64 g/mol. Its IUPAC name is tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid.

Molecular Properties

Compound Nametert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid
PubChem CID170389736
Molecular FormulaC24H50NO4P
Molecular Weight447.64 g/mol
Exact Mass447.35
IUPAC Nametert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCCCCOP(=O)(O)C(C)(C)C
InChIInChI=1S/C24H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-17-20-23(26)25-21-18-15-16-19-22-29-30(27,28)24(2,3)4/h5-22H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyHLMLCPIESYXMKX-UHFFFAOYSA-N
XLogP7.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.64
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl-[6-(pentacosanoylamino)hexoxy]phosphinic acid
CID 167537809
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
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
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid?
The IUPAC name of tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid (CID 170389736) is tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid.
What is the SMILES notation for tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid?
The canonical SMILES for tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid is CCCCCCCCCCCCCC(=O)NCCCCCCOP(=O)(O)C(C)(C)C.
What is the InChIKey of tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid?
The InChIKey is HLMLCPIESYXMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-17-20-23(26)25-21-18-15-16-19-22-29-30(27,28)24(2,3)4/h5-22H2,1-4H3,(H,25,26)(H,27,28).
What are the key properties of tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid?
tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid has a molecular weight of 447.64 g/mol, XLogP of 7.36, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid is sourced from PubChem (CID 170389736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).