[3-[(2-phenoxyacetyl)amino]phenyl] acetate

C16H15NO4 — CID 6472442

IUPAC[3-[(2-phenoxyacetyl)amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-12(18)21-15-9-5-6-13(10-15)17-16(19)11-20-14-7-3-2-4-8-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyLTMDIWOOEMTJAW-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.63
Rot. Bonds5

About [3-[(2-phenoxyacetyl)amino]phenyl] acetate

[3-[(2-phenoxyacetyl)amino]phenyl] acetate (PubChem CID 6472442) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [3-[(2-phenoxyacetyl)amino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(2-phenoxyacetyl)amino]phenyl] acetate
PubChem CID6472442
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[3-[(2-phenoxyacetyl)amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-12(18)21-15-9-5-6-13(10-15)17-16(19)11-20-14-7-3-2-4-8-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyLTMDIWOOEMTJAW-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
CID 17341802
[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate
CID 17341793
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(4-phenylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154728
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927830
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of [3-[(2-phenoxyacetyl)amino]phenyl] acetate?
The IUPAC name of [3-[(2-phenoxyacetyl)amino]phenyl] acetate (CID 6472442) is [3-[(2-phenoxyacetyl)amino]phenyl] acetate.
What is the SMILES notation for [3-[(2-phenoxyacetyl)amino]phenyl] acetate?
The canonical SMILES for [3-[(2-phenoxyacetyl)amino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of [3-[(2-phenoxyacetyl)amino]phenyl] acetate?
The InChIKey is LTMDIWOOEMTJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-12(18)21-15-9-5-6-13(10-15)17-16(19)11-20-14-7-3-2-4-8-14/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of [3-[(2-phenoxyacetyl)amino]phenyl] acetate?
[3-[(2-phenoxyacetyl)amino]phenyl] acetate has a molecular weight of 285.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-phenoxyacetyl)amino]phenyl] acetate is sourced from PubChem (CID 6472442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).