[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate

C20H23NO4 — CID 17341802

IUPAC[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
SMILESCCC(C)c1ccc(OCC(=O)Nc2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C20H23NO4/c1-4-14(2)16-8-10-18(11-9-16)24-13-20(23)21-17-6-5-7-19(12-17)25-15(3)22/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyYLRIYZZEYUAGQO-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.14
Rot. Bonds7

About [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate

[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate (PubChem CID 17341802) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate.

Molecular Properties

Compound Name[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
PubChem CID17341802
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
SMILESCCC(C)c1ccc(OCC(=O)Nc2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C20H23NO4/c1-4-14(2)16-8-10-18(11-9-16)24-13-20(23)21-17-6-5-7-19(12-17)25-15(3)22/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyYLRIYZZEYUAGQO-UHFFFAOYSA-N
XLogP4.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.14
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-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3-nitrophenyl)acetamide
CID 918526
N-[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 23095230
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
dimethyl 5-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 1017629
dimethyl 5-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 1017628

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate?
The IUPAC name of [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate (CID 17341802) is [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate.
What is the SMILES notation for [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate?
The canonical SMILES for [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate is CCC(C)c1ccc(OCC(=O)Nc2cccc(OC(C)=O)c2)cc1.
What is the InChIKey of [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate?
The InChIKey is YLRIYZZEYUAGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-14(2)16-8-10-18(11-9-16)24-13-20(23)21-17-6-5-7-19(12-17)25-15(3)22/h5-12,14H,4,13H2,1-3H3,(H,21,23).
What are the key properties of [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate?
[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate has a molecular weight of 341.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate is sourced from PubChem (CID 17341802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).