[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate

C19H21NO4 — CID 17341793

IUPAC[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)COc2cc(C)c(C)cc2C)c1
InChIInChI=1S/C19H21NO4/c1-12-8-14(3)18(9-13(12)2)23-11-19(22)20-16-6-5-7-17(10-16)24-15(4)21/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyHXZSWTJRHAZTRI-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.55
Rot. Bonds5

About [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate

[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate (PubChem CID 17341793) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate.

Molecular Properties

Compound Name[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate
PubChem CID17341793
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)COc2cc(C)c(C)cc2C)c1
InChIInChI=1S/C19H21NO4/c1-12-8-14(3)18(9-13(12)2)23-11-19(22)20-16-6-5-7-17(10-16)24-15(4)21/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyHXZSWTJRHAZTRI-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.55
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

N-(3-acetamidophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978105
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927830
[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate
CID 17342012
N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17360274
[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
CID 17341802
2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
CID 4270480
2-(2,5-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123518
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929044

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate?
The IUPAC name of [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate (CID 17341793) is [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate.
What is the SMILES notation for [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate?
The canonical SMILES for [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)COc2cc(C)c(C)cc2C)c1.
What is the InChIKey of [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate?
The InChIKey is HXZSWTJRHAZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-8-14(3)18(9-13(12)2)23-11-19(22)20-16-6-5-7-17(10-16)24-15(4)21/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate?
[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate has a molecular weight of 327.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate is sourced from PubChem (CID 17341793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).