2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide

C21H26N2O3 — CID 7919102

IUPAC2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCCOc1ccc(/C=N\OCC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-25-20-13-11-19(12-14-20)15-22-26-16-21(24)23-17(2)9-10-18-7-5-4-6-8-18/h4-8,11-15,17H,3,9-10,16H2,1-2H3,(H,23,24)/b22-15-/t17-/m1/s1
InChIKeyLWNOBSFETHXDOE-JVDNRXPZSA-N
MW354.45 g/mol
LogP3.57
Rot. Bonds10

About 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 7919102) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID7919102
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCCOc1ccc(/C=N\OCC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-25-20-13-11-19(12-14-20)15-22-26-16-21(24)23-17(2)9-10-18-7-5-4-6-8-18/h4-8,11-15,17H,3,9-10,16H2,1-2H3,(H,23,24)/b22-15-/t17-/m1/s1
InChIKeyLWNOBSFETHXDOE-JVDNRXPZSA-N
XLogP3.57
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 4858541
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273902
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 18208260
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
N-(3,5-dimethylphenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669707
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylphenoxy)acetate
CID 95795801
N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 9354539
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-iodophenoxy)acetate
CID 95795789

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 7919102) is 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide is CCOc1ccc(/C=N\OCC(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is LWNOBSFETHXDOE-JVDNRXPZSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-25-20-13-11-19(12-14-20)15-22-26-16-21(24)23-17(2)9-10-18-7-5-4-6-8-18/h4-8,11-15,17H,3,9-10,16H2,1-2H3,(H,23,24)/b22-15-/t17-/m1/s1.
What are the key properties of 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 7919102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).