N-diphenoxyphosphoryl-3-methoxyaniline

C19H18NO4P — CID 2305383

IUPACN-diphenoxyphosphoryl-3-methoxyaniline
SMILESCOc1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C19H18NO4P/c1-22-19-14-8-9-16(15-19)20-25(21,23-17-10-4-2-5-11-17)24-18-12-6-3-7-13-18/h2-15H,1H3,(H,20,21)
InChIKeyWIEARTGNBIZIBU-UHFFFAOYSA-N
MW355.33 g/mol
LogP5.37
Rot. Bonds7

About N-diphenoxyphosphoryl-3-methoxyaniline

N-diphenoxyphosphoryl-3-methoxyaniline (PubChem CID 2305383) has the molecular formula C19H18NO4P and a molecular weight of 355.33 g/mol. Its IUPAC name is N-diphenoxyphosphoryl-3-methoxyaniline.

Molecular Properties

Compound NameN-diphenoxyphosphoryl-3-methoxyaniline
PubChem CID2305383
Molecular FormulaC19H18NO4P
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC NameN-diphenoxyphosphoryl-3-methoxyaniline
SMILESCOc1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C19H18NO4P/c1-22-19-14-8-9-16(15-19)20-25(21,23-17-10-4-2-5-11-17)24-18-12-6-3-7-13-18/h2-15H,1H3,(H,20,21)
InChIKeyWIEARTGNBIZIBU-UHFFFAOYSA-N
XLogP5.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxyaniline
CID 10824
Diphenyl N-phenylphosphoramidate
CID 19708
3,3'-(Pentamethylenedioxy)dianiline
CID 316507
Methylphosphonoamidate, o-(2-methoxyphenyl)-N-phenyl-
CID 624025
(3-Methoxy-phenyl)-phosphoramidic acid bis-(2-chloro-phenyl) ester
CID 2305270
N-bis(4-chlorophenoxy)phosphoryl-3-methoxyaniline
CID 1613471
N-bis(4-chlorophenoxy)phosphoryl-3,4-dimethoxyaniline
CID 2272804
Bis(4-chlorophenyl) (2,5-dimethoxyphenyl)amidophosphate
CID 2272806
4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline
CID 2305211
N-bis(3-methoxyphenoxy)phosphorylaniline
CID 1588119
N-[methyl(phenoxy)phosphoryl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 878518
Di-m-tolyl (3,4-dimethoxyphenyl)phosphoramidate
CID 1923965

Frequently Asked Questions

What is the IUPAC name of N-diphenoxyphosphoryl-3-methoxyaniline?
The IUPAC name of N-diphenoxyphosphoryl-3-methoxyaniline (CID 2305383) is N-diphenoxyphosphoryl-3-methoxyaniline.
What is the SMILES notation for N-diphenoxyphosphoryl-3-methoxyaniline?
The canonical SMILES for N-diphenoxyphosphoryl-3-methoxyaniline is COc1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1.
What is the InChIKey of N-diphenoxyphosphoryl-3-methoxyaniline?
The InChIKey is WIEARTGNBIZIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18NO4P/c1-22-19-14-8-9-16(15-19)20-25(21,23-17-10-4-2-5-11-17)24-18-12-6-3-7-13-18/h2-15H,1H3,(H,20,21).
What are the key properties of N-diphenoxyphosphoryl-3-methoxyaniline?
N-diphenoxyphosphoryl-3-methoxyaniline has a molecular weight of 355.33 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenoxyphosphoryl-3-methoxyaniline is sourced from PubChem (CID 2305383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).