ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid

C21H44NO4P — CID 85470252

IUPACethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCCCP(=O)(O)OCC
InChIInChI=1S/C21H44NO4P/c1-3-5-6-7-8-9-10-11-12-13-15-18-21(23)22-19-16-14-17-20-27(24,25)26-4-2/h3-20H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyKCMWAZFNJGPIHJ-UHFFFAOYSA-N
MW405.56 g/mol
LogP6.20
Rot. Bonds20

About ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid

ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid (PubChem CID 85470252) has the molecular formula C21H44NO4P and a molecular weight of 405.56 g/mol. Its IUPAC name is ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
PubChem CID85470252
Molecular FormulaC21H44NO4P
Molecular Weight405.56 g/mol
Exact Mass405.30
IUPAC Nameethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCCCP(=O)(O)OCC
InChIInChI=1S/C21H44NO4P/c1-3-5-6-7-8-9-10-11-12-13-15-18-21(23)22-19-16-14-17-20-27(24,25)26-4-2/h3-20H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyKCMWAZFNJGPIHJ-UHFFFAOYSA-N
XLogP6.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 56.20
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'}

Analyze ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl-[5-(hexanoylamino)pentyl]phosphinic acid
CID 170966212
N-(2-diethoxyphosphorylethyl)heptanamide
CID 143289197
carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid
CID 160559834
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
N-hexadecylhexanamide
CID 4953738
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid?
The IUPAC name of ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid (CID 85470252) is ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid.
What is the SMILES notation for ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid?
The canonical SMILES for ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid is CCCCCCCCCCCCCC(=O)NCCCCCP(=O)(O)OCC.
What is the InChIKey of ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid?
The InChIKey is KCMWAZFNJGPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44NO4P/c1-3-5-6-7-8-9-10-11-12-13-15-18-21(23)22-19-16-14-17-20-27(24,25)26-4-2/h3-20H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid?
ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid has a molecular weight of 405.56 g/mol, XLogP of 6.20, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid is sourced from PubChem (CID 85470252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).