N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide

C24H24N2O3 — CID 6055271

IUPACN-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCOc1ccc(/C=N/OCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-2-28-22-15-13-19(14-16-22)17-25-29-18-23(27)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,24H,2,18H2,1H3,(H,26,27)/b25-17+
InChIKeyJCFQVDWSMNUHEJ-KOEQRZSOSA-N
MW388.47 g/mol
LogP4.34
Rot. Bonds9

About N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide

N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 6055271) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID6055271
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCOc1ccc(/C=N/OCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-2-28-22-15-13-19(14-16-22)17-25-29-18-23(27)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,24H,2,18H2,1H3,(H,26,27)/b25-17+
InChIKeyJCFQVDWSMNUHEJ-KOEQRZSOSA-N
XLogP4.34
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.34
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'}

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide (CID 6055271) is N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide is CCOc1ccc(/C=N/OCC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is JCFQVDWSMNUHEJ-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-28-22-15-13-19(14-16-22)17-25-29-18-23(27)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,24H,2,18H2,1H3,(H,26,27)/b25-17+.
What are the key properties of N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 388.47 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(E)-(4-ethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 6055271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).