3-(tetradecanoylamino)propylphosphonic acid

C17H36NO4P — CID 141196377

IUPAC3-(tetradecanoylamino)propylphosphonic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCP(=O)(O)O
InChIInChI=1S/C17H36NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)18-15-13-16-23(20,21)22/h2-16H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyGCIIVSFSHNQRGN-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.37
Rot. Bonds16

About 3-(tetradecanoylamino)propylphosphonic acid

3-(tetradecanoylamino)propylphosphonic acid (PubChem CID 141196377) has the molecular formula C17H36NO4P and a molecular weight of 349.45 g/mol. Its IUPAC name is 3-(tetradecanoylamino)propylphosphonic acid.

Molecular Properties

Compound Name3-(tetradecanoylamino)propylphosphonic acid
PubChem CID141196377
Molecular FormulaC17H36NO4P
Molecular Weight349.45 g/mol
Exact Mass349.24
IUPAC Name3-(tetradecanoylamino)propylphosphonic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCP(=O)(O)O
InChIInChI=1S/C17H36NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)18-15-13-16-23(20,21)22/h2-16H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyGCIIVSFSHNQRGN-UHFFFAOYSA-N
XLogP4.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid
CID 160559834
butyl-[5-(hexanoylamino)pentyl]phosphinic acid
CID 170966212
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-hexadecylhexanamide
CID 4953738
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
N-nonyltridecanamide
CID 154228217
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214

Frequently Asked Questions

What is the IUPAC name of 3-(tetradecanoylamino)propylphosphonic acid?
The IUPAC name of 3-(tetradecanoylamino)propylphosphonic acid (CID 141196377) is 3-(tetradecanoylamino)propylphosphonic acid.
What is the SMILES notation for 3-(tetradecanoylamino)propylphosphonic acid?
The canonical SMILES for 3-(tetradecanoylamino)propylphosphonic acid is CCCCCCCCCCCCCC(=O)NCCCP(=O)(O)O.
What is the InChIKey of 3-(tetradecanoylamino)propylphosphonic acid?
The InChIKey is GCIIVSFSHNQRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)18-15-13-16-23(20,21)22/h2-16H2,1H3,(H,18,19)(H2,20,21,22).
What are the key properties of 3-(tetradecanoylamino)propylphosphonic acid?
3-(tetradecanoylamino)propylphosphonic acid has a molecular weight of 349.45 g/mol, XLogP of 4.37, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetradecanoylamino)propylphosphonic acid is sourced from PubChem (CID 141196377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).