N-diphenoxyphosphoryl-2,5-dimethylaniline

C20H20NO3P — CID 2305273

IUPACN-diphenoxyphosphoryl-2,5-dimethylaniline
SMILESCc1ccc(C)c(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C20H20NO3P/c1-16-13-14-17(2)20(15-16)21-25(22,23-18-9-5-3-6-10-18)24-19-11-7-4-8-12-19/h3-15H,1-2H3,(H,21,22)
InChIKeyGMSMBWMTBLESFN-UHFFFAOYSA-N
MW353.36 g/mol
LogP5.98
Rot. Bonds6

About N-diphenoxyphosphoryl-2,5-dimethylaniline

N-diphenoxyphosphoryl-2,5-dimethylaniline (PubChem CID 2305273) has the molecular formula C20H20NO3P and a molecular weight of 353.36 g/mol. Its IUPAC name is N-diphenoxyphosphoryl-2,5-dimethylaniline.

Molecular Properties

Compound NameN-diphenoxyphosphoryl-2,5-dimethylaniline
PubChem CID2305273
Molecular FormulaC20H20NO3P
Molecular Weight353.36 g/mol
Exact Mass353.12
IUPAC NameN-diphenoxyphosphoryl-2,5-dimethylaniline
SMILESCc1ccc(C)c(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C20H20NO3P/c1-16-13-14-17(2)20(15-16)21-25(22,23-18-9-5-3-6-10-18)24-19-11-7-4-8-12-19/h3-15H,1-2H3,(H,21,22)
InChIKeyGMSMBWMTBLESFN-UHFFFAOYSA-N
XLogP5.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.36
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Diphenyl N-phenylphosphoramidate
CID 19708
N-diphenoxyphosphoryl-2,3-dimethylaniline
CID 2313167
3,5-dimethylphenyl N-(2,4-dimethylphenyl)-P-methylphosphonamidoate
CID 752258
N-bis(2-fluorophenoxy)phosphoryl-2-methylaniline
CID 1618088
Bis(2-fluorophenyl) (2,3-dimethylphenyl)phosphoramidate
CID 1858616
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline
CID 1912719
Bis(3-methylphenyl) (4-fluorophenyl)amidophosphate
CID 2067177
N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline
CID 2244588
4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline
CID 2305212
Phosphorodiamidic acid, N,N'-diphenyl-, phenyl ester
CID 2305213
N-bis(phenylmethoxy)phosphorylaniline
CID 275754
Phosphonamidic acid, N,P-diphenyl-, phenyl ester
CID 3044786

Frequently Asked Questions

What is the IUPAC name of N-diphenoxyphosphoryl-2,5-dimethylaniline?
The IUPAC name of N-diphenoxyphosphoryl-2,5-dimethylaniline (CID 2305273) is N-diphenoxyphosphoryl-2,5-dimethylaniline.
What is the SMILES notation for N-diphenoxyphosphoryl-2,5-dimethylaniline?
The canonical SMILES for N-diphenoxyphosphoryl-2,5-dimethylaniline is Cc1ccc(C)c(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1.
What is the InChIKey of N-diphenoxyphosphoryl-2,5-dimethylaniline?
The InChIKey is GMSMBWMTBLESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO3P/c1-16-13-14-17(2)20(15-16)21-25(22,23-18-9-5-3-6-10-18)24-19-11-7-4-8-12-19/h3-15H,1-2H3,(H,21,22).
What are the key properties of N-diphenoxyphosphoryl-2,5-dimethylaniline?
N-diphenoxyphosphoryl-2,5-dimethylaniline has a molecular weight of 353.36 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenoxyphosphoryl-2,5-dimethylaniline is sourced from PubChem (CID 2305273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).