2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C23H29N3O2 — CID 9372400

IUPAC2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CO/N=C(/N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-17-10-8-9-15-20(17)25-21(27)16-28-26-23(24)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,20,22H,8-10,15-16H2,1H3,(H2,24,26)(H,25,27)/t17-,20-/m1/s1
InChIKeyAYXVXXGIJSLRIO-YLJYHZDGSA-N
MW379.50 g/mol
LogP3.80
Rot. Bonds7

About 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 9372400) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID9372400
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CO/N=C(/N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-17-10-8-9-15-20(17)25-21(27)16-28-26-23(24)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,20,22H,8-10,15-16H2,1H3,(H2,24,26)(H,25,27)/t17-,20-/m1/s1
InChIKeyAYXVXXGIJSLRIO-YLJYHZDGSA-N
XLogP3.80
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.80
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-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 11916917
2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7644084
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 126817139
2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8548615
2-[(Z)-(1-amino-4-methylpentylidene)amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 47446463
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 52534598
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 52534597
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 9372400) is 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C(/N)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is AYXVXXGIJSLRIO-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-10-8-9-15-20(17)25-21(27)16-28-26-23(24)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,20,22H,8-10,15-16H2,1H3,(H2,24,26)(H,25,27)/t17-,20-/m1/s1.
What are the key properties of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.80, 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-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9372400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).