4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline

C20H21N2O4P — CID 2305211

IUPAC4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline
SMILESCOc1ccc(NP(=O)(Nc2ccc(OC)cc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H21N2O4P/c1-24-18-12-8-16(9-13-18)21-27(23,26-20-6-4-3-5-7-20)22-17-10-14-19(25-2)15-11-17/h3-15H,1-2H3,(H2,21,22,23)
InChIKeyGLEFVSOADRELOV-UHFFFAOYSA-N
MW384.37 g/mol
LogP5.41
Rot. Bonds8

About 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline

4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline (PubChem CID 2305211) has the molecular formula C20H21N2O4P and a molecular weight of 384.37 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline
PubChem CID2305211
Molecular FormulaC20H21N2O4P
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline
SMILESCOc1ccc(NP(=O)(Nc2ccc(OC)cc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H21N2O4P/c1-24-18-12-8-16(9-13-18)21-27(23,26-20-6-4-3-5-7-20)22-17-10-14-19(25-2)15-11-17/h3-15H,1-2H3,(H2,21,22,23)
InChIKeyGLEFVSOADRELOV-UHFFFAOYSA-N
XLogP5.41
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.37
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl N-phenylphosphoramidate
CID 19708
1,4-Bis(4-aminophenoxy)benzene
CID 19012
Methylphosphonoamidate, o-(2-methoxyphenyl)-N-phenyl-
CID 624025
N-diphenoxyphosphoryl-3-methoxyaniline
CID 2305383
4,4'-(Oxybis(2,1-ethanediyloxy))bis(benzenamine)
CID 81401
1,5-Bis(p-aminophenoxy)pentane
CID 14173
Diaminodiphenoxybutane
CID 53351
Bis(4-methoxyphenyl)(4-nitrophenoxy)methylphosphine oxide
CID 1208108
N-bis(3-methoxyphenoxy)phosphorylaniline
CID 1588119
Phosphorodiamidic acid, N,N'-diphenyl-, phenyl ester
CID 2305213
4,4'-Azodianisole
CID 10388
1,3-Bis(4-aminophenoxy)propane
CID 572769

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline?
The IUPAC name of 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline (CID 2305211) is 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline.
What is the SMILES notation for 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline?
The canonical SMILES for 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline is COc1ccc(NP(=O)(Nc2ccc(OC)cc2)Oc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline?
The InChIKey is GLEFVSOADRELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2O4P/c1-24-18-12-8-16(9-13-18)21-27(23,26-20-6-4-3-5-7-20)22-17-10-14-19(25-2)15-11-17/h3-15H,1-2H3,(H2,21,22,23).
What are the key properties of 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline?
4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline has a molecular weight of 384.37 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline is sourced from PubChem (CID 2305211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).