N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide

C22H27N4O5P — CID 6872246

IUPACN-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide
SMILESCC(C)OP(=O)(OC(C)C)C(/C=N/NC(=O)c1ccccc1)=N/NC(=O)c1ccccc1
InChIInChI=1S/C22H27N4O5P/c1-16(2)30-32(29,31-17(3)4)20(24-26-22(28)19-13-9-6-10-14-19)15-23-25-21(27)18-11-7-5-8-12-18/h5-17H,1-4H3,(H,25,27)(H,26,28)/b23-15+,24-20+
InChIKeyJOCDPJMMKOZPSA-OJMJSWISSA-N
MW458.46 g/mol
LogP4.19
Rot. Bonds10

About N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide

N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide (PubChem CID 6872246) has the molecular formula C22H27N4O5P and a molecular weight of 458.46 g/mol. Its IUPAC name is N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide
PubChem CID6872246
Molecular FormulaC22H27N4O5P
Molecular Weight458.46 g/mol
Exact Mass458.17
IUPAC NameN-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide
SMILESCC(C)OP(=O)(OC(C)C)C(/C=N/NC(=O)c1ccccc1)=N/NC(=O)c1ccccc1
InChIInChI=1S/C22H27N4O5P/c1-16(2)30-32(29,31-17(3)4)20(24-26-22(28)19-13-9-6-10-14-19)15-23-25-21(27)18-11-7-5-8-12-18/h5-17H,1-4H3,(H,25,27)(H,26,28)/b23-15+,24-20+
InChIKeyJOCDPJMMKOZPSA-OJMJSWISSA-N
XLogP4.19
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(Z)-[(2Z)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide
CID 6405795
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
ethyl (E)-2-[(E)-(benzoylhydrazinylidene)methyl]-3-hydroxybut-2-enoate
CID 137153411
N-[(E)-[(2Z,4R,5R)-2-(benzoylhydrazinylidene)-4,5,6-trihydroxyhexylidene]amino]benzamide
CID 171921326
N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
CID 54785289
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene
CID 102258998
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide?
The IUPAC name of N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide (CID 6872246) is N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide.
What is the SMILES notation for N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide?
The canonical SMILES for N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide is CC(C)OP(=O)(OC(C)C)C(/C=N/NC(=O)c1ccccc1)=N/NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide?
The InChIKey is JOCDPJMMKOZPSA-OJMJSWISSA-N. The full InChI is InChI=1S/C22H27N4O5P/c1-16(2)30-32(29,31-17(3)4)20(24-26-22(28)19-13-9-6-10-14-19)15-23-25-21(27)18-11-7-5-8-12-18/h5-17H,1-4H3,(H,25,27)(H,26,28)/b23-15+,24-20+.
What are the key properties of N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide?
N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide has a molecular weight of 458.46 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-2-di(propan-2-yloxy)phosphorylethylidene]amino]benzamide is sourced from PubChem (CID 6872246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).