2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide

C23H23N3O2 — CID 9372104

IUPAC2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CO/N=C(/N)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23N3O2/c1-17-9-8-14-20(15-17)25-21(27)16-28-26-23(24)22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22H,16H2,1H3,(H2,24,26)(H,25,27)
InChIKeyIQGWPKHDVBVMLC-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.05
Rot. Bonds7

About 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide

2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide (PubChem CID 9372104) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide
PubChem CID9372104
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CO/N=C(/N)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23N3O2/c1-17-9-8-14-20(15-17)25-21(27)16-28-26-23(24)22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22H,16H2,1H3,(H2,24,26)(H,25,27)
InChIKeyIQGWPKHDVBVMLC-UHFFFAOYSA-N
XLogP4.05
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
CID 9372367
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide
CID 9372201
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide
CID 75134438
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
benzhydryl 4-(3-methylanilino)-4-oxobutanoate
CID 126185876
[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium
CID 7386993
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78767132

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide (CID 9372104) is 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CO/N=C(/N)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide?
The InChIKey is IQGWPKHDVBVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17-9-8-14-20(15-17)25-21(27)16-28-26-23(24)22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22H,16H2,1H3,(H2,24,26)(H,25,27).
What are the key properties of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide?
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide has a molecular weight of 373.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 9372104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).