3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide

C23H25N2O4P — CID 3615118

IUPAC3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide
SMILESCOc1ccc(CC(C(=O)NN)P(=O)(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C23H25N2O4P/c1-28-20-14-13-17(15-21(20)29-2)16-22(23(26)25-24)30(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,22H,16,24H2,1-2H3,(H,25,26)
InChIKeyZGLDKHKBJMMNDF-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.62
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide

3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide (PubChem CID 3615118) has the molecular formula C23H25N2O4P and a molecular weight of 424.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide
PubChem CID3615118
Molecular FormulaC23H25N2O4P
Molecular Weight424.44 g/mol
Exact Mass424.16
IUPAC Name3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide
SMILESCOc1ccc(CC(C(=O)NN)P(=O)(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C23H25N2O4P/c1-28-20-14-13-17(15-21(20)29-2)16-22(23(26)25-24)30(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,22H,16,24H2,1-2H3,(H,25,26)
InChIKeyZGLDKHKBJMMNDF-UHFFFAOYSA-N
XLogP2.62
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
[(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropyl] benzoate
CID 146169890
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide (CID 3615118) is 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide is COc1ccc(CC(C(=O)NN)P(=O)(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide?
The InChIKey is ZGLDKHKBJMMNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2O4P/c1-28-20-14-13-17(15-21(20)29-2)16-22(23(26)25-24)30(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,22H,16,24H2,1-2H3,(H,25,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide?
3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide has a molecular weight of 424.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide is sourced from PubChem (CID 3615118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).