N-dipentoxyphosphorylaniline

C16H28NO3P — CID 3063864

IUPACN-dipentoxyphosphorylaniline
SMILESCCCCCOP(=O)(Nc1ccccc1)OCCCCC
InChIInChI=1S/C16H28NO3P/c1-3-5-10-14-19-21(18,20-15-11-6-4-2)17-16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3,(H,17,18)
InChIKeyFHSCQTAPFLXLHK-UHFFFAOYSA-N
MW313.38 g/mol
LogP5.62
Rot. Bonds12

About N-dipentoxyphosphorylaniline

N-dipentoxyphosphorylaniline (PubChem CID 3063864) has the molecular formula C16H28NO3P and a molecular weight of 313.38 g/mol. Its IUPAC name is N-dipentoxyphosphorylaniline.

Molecular Properties

Compound NameN-dipentoxyphosphorylaniline
PubChem CID3063864
Molecular FormulaC16H28NO3P
Molecular Weight313.38 g/mol
Exact Mass313.18
IUPAC NameN-dipentoxyphosphorylaniline
SMILESCCCCCOP(=O)(Nc1ccccc1)OCCCCC
InChIInChI=1S/C16H28NO3P/c1-3-5-10-14-19-21(18,20-15-11-6-4-2)17-16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3,(H,17,18)
InChIKeyFHSCQTAPFLXLHK-UHFFFAOYSA-N
XLogP5.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.38
LogP ≤ 55.62
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-dipentoxyphosphorylaniline?
The IUPAC name of N-dipentoxyphosphorylaniline (CID 3063864) is N-dipentoxyphosphorylaniline.
What is the SMILES notation for N-dipentoxyphosphorylaniline?
The canonical SMILES for N-dipentoxyphosphorylaniline is CCCCCOP(=O)(Nc1ccccc1)OCCCCC.
What is the InChIKey of N-dipentoxyphosphorylaniline?
The InChIKey is FHSCQTAPFLXLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28NO3P/c1-3-5-10-14-19-21(18,20-15-11-6-4-2)17-16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3,(H,17,18).
What are the key properties of N-dipentoxyphosphorylaniline?
N-dipentoxyphosphorylaniline has a molecular weight of 313.38 g/mol, XLogP of 5.62, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dipentoxyphosphorylaniline is sourced from PubChem (CID 3063864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).