butoxy-N,N-dibutylphosphonamidic acid

C12H28NO3P — CID 18676696

IUPACbutoxy-N,N-dibutylphosphonamidic acid
SMILESCCCCOP(=O)(O)N(CCCC)CCCC
InChIInChI=1S/C12H28NO3P/c1-4-7-10-13(11-8-5-2)17(14,15)16-12-9-6-3/h4-12H2,1-3H3,(H,14,15)
InChIKeyJULMVZLUPBLRFH-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.81
Rot. Bonds11

About butoxy-N,N-dibutylphosphonamidic acid

butoxy-N,N-dibutylphosphonamidic acid (PubChem CID 18676696) has the molecular formula C12H28NO3P and a molecular weight of 265.33 g/mol. Its IUPAC name is butoxy-N,N-dibutylphosphonamidic acid.

Molecular Properties

Compound Namebutoxy-N,N-dibutylphosphonamidic acid
PubChem CID18676696
Molecular FormulaC12H28NO3P
Molecular Weight265.33 g/mol
Exact Mass265.18
IUPAC Namebutoxy-N,N-dibutylphosphonamidic acid
SMILESCCCCOP(=O)(O)N(CCCC)CCCC
InChIInChI=1S/C12H28NO3P/c1-4-7-10-13(11-8-5-2)17(14,15)16-12-9-6-3/h4-12H2,1-3H3,(H,14,15)
InChIKeyJULMVZLUPBLRFH-UHFFFAOYSA-N
XLogP3.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
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

bis(dibutylamino)phosphinic acid
CID 149434212
dibutyl hydrogen phosphate
CID 158586372
azane;butyl dihydrogen phosphate
CID 173333807
[dibutoxyphosphoryl(hydroxymethyl)amino]methanol
CID 20528591
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
butoxy(ethyl)phosphinic acid
CID 71353007
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
butyl heptyl hydrogen phosphate
CID 86151412
butyl dihydrogen phosphate;2-methylprop-1-ene
CID 162187619
dibutoxyphosphorylmethylphosphonic acid
CID 57169344
butyl phosphono hydrogen phosphate
CID 22278195
butoxy(tert-butyl)phosphinic acid
CID 15271226

Frequently Asked Questions

What is the IUPAC name of butoxy-N,N-dibutylphosphonamidic acid?
The IUPAC name of butoxy-N,N-dibutylphosphonamidic acid (CID 18676696) is butoxy-N,N-dibutylphosphonamidic acid.
What is the SMILES notation for butoxy-N,N-dibutylphosphonamidic acid?
The canonical SMILES for butoxy-N,N-dibutylphosphonamidic acid is CCCCOP(=O)(O)N(CCCC)CCCC.
What is the InChIKey of butoxy-N,N-dibutylphosphonamidic acid?
The InChIKey is JULMVZLUPBLRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO3P/c1-4-7-10-13(11-8-5-2)17(14,15)16-12-9-6-3/h4-12H2,1-3H3,(H,14,15).
What are the key properties of butoxy-N,N-dibutylphosphonamidic acid?
butoxy-N,N-dibutylphosphonamidic acid has a molecular weight of 265.33 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-N,N-dibutylphosphonamidic acid is sourced from PubChem (CID 18676696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).