2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide

C26H29N3O2 — CID 9372201

IUPAC2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CO/N=C(/N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-3-19-16-11-17-20(4-2)25(19)28-23(30)18-31-29-26(27)24(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-17,24H,3-4,18H2,1-2H3,(H2,27,29)(H,28,30)
InChIKeyBDJZNRAMFUCETI-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.87
Rot. Bonds9

About 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide

2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide (PubChem CID 9372201) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide
PubChem CID9372201
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CO/N=C(/N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-3-19-16-11-17-20(4-2)25(19)28-23(30)18-31-29-26(27)24(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-17,24H,3-4,18H2,1-2H3,(H2,27,29)(H,28,30)
InChIKeyBDJZNRAMFUCETI-UHFFFAOYSA-N
XLogP4.87
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.87
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

N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
2-(benzhydrylamino)-N-(2,6-diethylphenyl)acetamide
CID 2620925
2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 23964047
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2389381
N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131674
2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 138015522
[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17258700
N-(2,6-diethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254462
N-(2,6-diethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254461

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide (CID 9372201) is 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CO/N=C(/N)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide?
The InChIKey is BDJZNRAMFUCETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-19-16-11-17-20(4-2)25(19)28-23(30)18-31-29-26(27)24(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-17,24H,3-4,18H2,1-2H3,(H2,27,29)(H,28,30).
What are the key properties of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide?
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.87, 9 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-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 9372201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).