2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide

C27H56NO3P — CID 102344381

IUPAC2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COCP(=O)(CCCC)CCCC
InChIInChI=1S/C27H56NO3P/c1-5-9-13-15-17-19-21-28(22-20-18-16-14-10-6-2)27(29)25-31-26-32(30,23-11-7-3)24-12-8-4/h5-26H2,1-4H3
InChIKeyYZEJSNGDFJZTDP-UHFFFAOYSA-N
MW473.72 g/mol
LogP8.47
Rot. Bonds24

About 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide

2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide (PubChem CID 102344381) has the molecular formula C27H56NO3P and a molecular weight of 473.72 g/mol. Its IUPAC name is 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide.

Molecular Properties

Compound Name2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide
PubChem CID102344381
Molecular FormulaC27H56NO3P
Molecular Weight473.72 g/mol
Exact Mass473.40
IUPAC Name2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COCP(=O)(CCCC)CCCC
InChIInChI=1S/C27H56NO3P/c1-5-9-13-15-17-19-21-28(22-20-18-16-14-10-6-2)27(29)25-31-26-32(30,23-11-7-3)24-12-8-4/h5-26H2,1-4H3
InChIKeyYZEJSNGDFJZTDP-UHFFFAOYSA-N
XLogP8.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.72
LogP ≤ 58.47
H-Bond Donors ≤ 50
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

N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide
CID 174303360
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-di(tetradecyl)acetamide
CID 163192847
2-[2-(dimethylamino)ethoxy]-N,N-dipentylacetamide
CID 175987160
[2-(dioctadecylamino)-2-oxoethyl] 2-aminoacetate
CID 54404734
2-methoxy-N,N-dipentylacetamide
CID 60776145
2-[2-[ethyl(methyl)amino]ethoxy]-N,N-dihexylacetamide
CID 175987181
N,N-di(undecyl)pentanamide
CID 532896
N,N-di(nonyl)octanamide
CID 533141

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide?
The IUPAC name of 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide (CID 102344381) is 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide.
What is the SMILES notation for 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide?
The canonical SMILES for 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide is CCCCCCCCN(CCCCCCCC)C(=O)COCP(=O)(CCCC)CCCC.
What is the InChIKey of 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide?
The InChIKey is YZEJSNGDFJZTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56NO3P/c1-5-9-13-15-17-19-21-28(22-20-18-16-14-10-6-2)27(29)25-31-26-32(30,23-11-7-3)24-12-8-4/h5-26H2,1-4H3.
What are the key properties of 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide?
2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide has a molecular weight of 473.72 g/mol, XLogP of 8.47, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide is sourced from PubChem (CID 102344381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).