1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine

C23H27NO6P2 — CID 23415563

IUPAC1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine
SMILESCCOP(=O)(OCC)C(NP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO6P2/c1-3-27-31(25,28-4-2)23(20-14-8-5-9-15-20)24-32(26,29-21-16-10-6-11-17-21)30-22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3,(H,24,26)
InChIKeyKWYQLEZXQPRRAO-UHFFFAOYSA-N
MW475.42 g/mol
LogP6.81
Rot. Bonds12

About 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine

1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine (PubChem CID 23415563) has the molecular formula C23H27NO6P2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine
PubChem CID23415563
Molecular FormulaC23H27NO6P2
Molecular Weight475.42 g/mol
Exact Mass475.13
IUPAC Name1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine
SMILESCCOP(=O)(OCC)C(NP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO6P2/c1-3-27-31(25,28-4-2)23(20-14-8-5-9-15-20)24-32(26,29-21-16-10-6-11-17-21)30-22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3,(H,24,26)
InChIKeyKWYQLEZXQPRRAO-UHFFFAOYSA-N
XLogP6.81
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(diethoxyphosphoryl)methylbenzene
CID 11132243
N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
3-[[ethoxy(phenoxy)phosphoryl]amino]butan-2-one
CID 123983388
N-[diethoxyphosphoryl(phenyl)methyl]-2-methylsulfanylaniline
CID 102431976
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
2-chloro-N-[diethoxyphosphoryl(phenyl)methyl]propanamide
CID 15495992
1-(2,4-dichlorophenyl)-N-diethoxyphosphoryl-1-diphenoxyphosphorylmethanamine
CID 14959157
N-[dipropoxyphosphoryl(phenyl)methyl]aniline
CID 23413513
N-[diethoxyphosphoryl(phenyl)methyl]-4-(trifluoromethoxy)aniline
CID 10250571
2,4,5-trichloro-N-[diethoxyphosphoryl(phenyl)methyl]aniline
CID 132583108
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine?
The IUPAC name of 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine (CID 23415563) is 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine.
What is the SMILES notation for 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine?
The canonical SMILES for 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine is CCOP(=O)(OCC)C(NP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1.
What is the InChIKey of 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine?
The InChIKey is KWYQLEZXQPRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO6P2/c1-3-27-31(25,28-4-2)23(20-14-8-5-9-15-20)24-32(26,29-21-16-10-6-11-17-21)30-22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3,(H,24,26).
What are the key properties of 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine?
1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine has a molecular weight of 475.42 g/mol, XLogP of 6.81, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine is sourced from PubChem (CID 23415563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).