[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate

C20H23NO4 — CID 8535763

IUPAC[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)NCCOc2ccccc2)cc1C
InChIInChI=1S/C20H23NO4/c1-15-8-9-17(12-16(15)2)13-20(23)25-14-19(22)21-10-11-24-18-6-4-3-5-7-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyNPQNYUKWIJJPSB-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.58
Rot. Bonds8

About [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate

[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate (PubChem CID 8535763) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
PubChem CID8535763
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)NCCOc2ccccc2)cc1C
InChIInChI=1S/C20H23NO4/c1-15-8-9-17(12-16(15)2)13-20(23)25-14-19(22)21-10-11-24-18-6-4-3-5-7-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyNPQNYUKWIJJPSB-UHFFFAOYSA-N
XLogP2.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 29349192
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8952411
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847365
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 8578548
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-fluoro-4-methylbenzoate
CID 9386992
1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
CID 62716544
2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101233
[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 2540902
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8642931
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate?
The IUPAC name of [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate (CID 8535763) is [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate is Cc1ccc(CC(=O)OCC(=O)NCCOc2ccccc2)cc1C.
What is the InChIKey of [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate?
The InChIKey is NPQNYUKWIJJPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-8-9-17(12-16(15)2)13-20(23)25-14-19(22)21-10-11-24-18-6-4-3-5-7-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate?
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate has a molecular weight of 341.41 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 8535763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).