2-dibutoxyphosphoryl-N,N-dioctylacetamide

C26H54NO4P — CID 118060028

IUPAC2-dibutoxyphosphoryl-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CP(=O)(OCCCC)OCCCC
InChIInChI=1S/C26H54NO4P/c1-5-9-13-15-17-19-21-27(22-20-18-16-14-10-6-2)26(28)25-32(29,30-23-11-7-3)31-24-12-8-4/h5-25H2,1-4H3
InChIKeyLPSIFUNHNHYJMV-UHFFFAOYSA-N
MW475.70 g/mol
LogP8.36
Rot. Bonds24

About 2-dibutoxyphosphoryl-N,N-dioctylacetamide

2-dibutoxyphosphoryl-N,N-dioctylacetamide (PubChem CID 118060028) has the molecular formula C26H54NO4P and a molecular weight of 475.70 g/mol. Its IUPAC name is 2-dibutoxyphosphoryl-N,N-dioctylacetamide.

Molecular Properties

Compound Name2-dibutoxyphosphoryl-N,N-dioctylacetamide
PubChem CID118060028
Molecular FormulaC26H54NO4P
Molecular Weight475.70 g/mol
Exact Mass475.38
IUPAC Name2-dibutoxyphosphoryl-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CP(=O)(OCCCC)OCCCC
InChIInChI=1S/C26H54NO4P/c1-5-9-13-15-17-19-21-27(22-20-18-16-14-10-6-2)26(28)25-32(29,30-23-11-7-3)31-24-12-8-4/h5-25H2,1-4H3
InChIKeyLPSIFUNHNHYJMV-UHFFFAOYSA-N
XLogP8.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.70
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide
CID 71413026
1-didecoxyphosphorylpropan-2-one
CID 176899433
2-dioctoxyphosphorylacetic acid
CID 121493906
N,N-dioctyltetradecanamide
CID 169083302
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N-butyl-N-octyldecanamide
CID 18913402
dodecyl 2-[dodecoxy(ethoxy)phosphoryl]acetate
CID 87327786
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827

Frequently Asked Questions

What is the IUPAC name of 2-dibutoxyphosphoryl-N,N-dioctylacetamide?
The IUPAC name of 2-dibutoxyphosphoryl-N,N-dioctylacetamide (CID 118060028) is 2-dibutoxyphosphoryl-N,N-dioctylacetamide.
What is the SMILES notation for 2-dibutoxyphosphoryl-N,N-dioctylacetamide?
The canonical SMILES for 2-dibutoxyphosphoryl-N,N-dioctylacetamide is CCCCCCCCN(CCCCCCCC)C(=O)CP(=O)(OCCCC)OCCCC.
What is the InChIKey of 2-dibutoxyphosphoryl-N,N-dioctylacetamide?
The InChIKey is LPSIFUNHNHYJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54NO4P/c1-5-9-13-15-17-19-21-27(22-20-18-16-14-10-6-2)26(28)25-32(29,30-23-11-7-3)31-24-12-8-4/h5-25H2,1-4H3.
What are the key properties of 2-dibutoxyphosphoryl-N,N-dioctylacetamide?
2-dibutoxyphosphoryl-N,N-dioctylacetamide has a molecular weight of 475.70 g/mol, XLogP of 8.36, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibutoxyphosphoryl-N,N-dioctylacetamide is sourced from PubChem (CID 118060028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).