N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide

C20H24N2O5 — CID 7919049

IUPACN-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N\OCC(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-14(16-8-6-5-7-9-16)22-19(23)13-27-21-12-15-10-17(24-2)20(26-4)18(11-15)25-3/h5-12,14H,13H2,1-4H3,(H,22,23)/b21-12-/t14-/m0/s1
InChIKeyXQTLZYKAUSVFLR-HKMXWPIPSA-N
MW372.42 g/mol
LogP2.94
Rot. Bonds9

About N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide

N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 7919049) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID7919049
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N\OCC(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-14(16-8-6-5-7-9-16)22-19(23)13-27-21-12-15-10-17(24-2)20(26-4)18(11-15)25-3/h5-12,14H,13H2,1-4H3,(H,22,23)/b21-12-/t14-/m0/s1
InChIKeyXQTLZYKAUSVFLR-HKMXWPIPSA-N
XLogP2.94
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24606303
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide
CID 7703301
2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7611853
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7644363
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2342829
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 126381158
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 19201958
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 46698013
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide (CID 7919049) is N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide is COc1cc(/C=N\OCC(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is XQTLZYKAUSVFLR-HKMXWPIPSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-14(16-8-6-5-7-9-16)22-19(23)13-27-21-12-15-10-17(24-2)20(26-4)18(11-15)25-3/h5-12,14H,13H2,1-4H3,(H,22,23)/b21-12-/t14-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide?
N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 372.42 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7919049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).