2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

C36H32N4O4P2 — CID 4090438

IUPAC2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)NN=Cc1cccc(C=NNC(=O)CP(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H32N4O4P2/c41-35(27-45(43,31-16-5-1-6-17-31)32-18-7-2-8-19-32)39-37-25-29-14-13-15-30(24-29)26-38-40-36(42)28-46(44,33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-26H,27-28H2,(H,39,41)(H,40,42)
InChIKeyJRBCHQBVNLISSD-UHFFFAOYSA-N
MW646.62 g/mol
LogP4.61
Rot. Bonds12

About 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (PubChem CID 4090438) has the molecular formula C36H32N4O4P2 and a molecular weight of 646.62 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
PubChem CID4090438
Molecular FormulaC36H32N4O4P2
Molecular Weight646.62 g/mol
Exact Mass646.19
IUPAC Name2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)NN=Cc1cccc(C=NNC(=O)CP(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H32N4O4P2/c41-35(27-45(43,31-16-5-1-6-17-31)32-18-7-2-8-19-32)39-37-25-29-14-13-15-30(24-29)26-38-40-36(42)28-46(44,33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-26H,27-28H2,(H,39,41)(H,40,42)
InChIKeyJRBCHQBVNLISSD-UHFFFAOYSA-N
XLogP4.61
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.62
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-diphenylphosphorylacetamide
CID 135425020
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135611775
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 75083253
2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 6112599
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(E)-benzylideneamino]butanamide
CID 6872028
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (CID 4090438) is 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is O=C(CP(=O)(c1ccccc1)c1ccccc1)NN=Cc1cccc(C=NNC(=O)CP(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The InChIKey is JRBCHQBVNLISSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O4P2/c41-35(27-45(43,31-16-5-1-6-17-31)32-18-7-2-8-19-32)39-37-25-29-14-13-15-30(24-29)26-38-40-36(42)28-46(44,33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-26H,27-28H2,(H,39,41)(H,40,42).
What are the key properties of 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide has a molecular weight of 646.62 g/mol, XLogP of 4.61, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-[[3-[[(2-diphenylphosphorylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 4090438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).