butyl 2-(3-acetamidophenoxy)acetate

C14H19NO4 — CID 54941709

IUPACbutyl 2-(3-acetamidophenoxy)acetate
SMILESCCCCOC(=O)COc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H19NO4/c1-3-4-8-18-14(17)10-19-13-7-5-6-12(9-13)15-11(2)16/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,16)
InChIKeyUWLKWHYERVMNFJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.37
Rot. Bonds7

About butyl 2-(3-acetamidophenoxy)acetate

butyl 2-(3-acetamidophenoxy)acetate (PubChem CID 54941709) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is butyl 2-(3-acetamidophenoxy)acetate.

Molecular Properties

Compound Namebutyl 2-(3-acetamidophenoxy)acetate
PubChem CID54941709
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebutyl 2-(3-acetamidophenoxy)acetate
SMILESCCCCOC(=O)COc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H19NO4/c1-3-4-8-18-14(17)10-19-13-7-5-6-12(9-13)15-11(2)16/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,16)
InChIKeyUWLKWHYERVMNFJ-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.37
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

butyl 2-(3-fluorophenoxy)acetate
CID 60644291
butyl 2-(3-acetamidoanilino)acetate
CID 54917754
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
(3-hexoxyphenyl)urea
CID 102387253
butyl 4-[3-(3-acetamidophenoxy)propylcarbamoylamino]benzoate
CID 3338314
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate
CID 18870014
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
CID 17095041

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-acetamidophenoxy)acetate?
The IUPAC name of butyl 2-(3-acetamidophenoxy)acetate (CID 54941709) is butyl 2-(3-acetamidophenoxy)acetate.
What is the SMILES notation for butyl 2-(3-acetamidophenoxy)acetate?
The canonical SMILES for butyl 2-(3-acetamidophenoxy)acetate is CCCCOC(=O)COc1cccc(NC(C)=O)c1.
What is the InChIKey of butyl 2-(3-acetamidophenoxy)acetate?
The InChIKey is UWLKWHYERVMNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-4-8-18-14(17)10-19-13-7-5-6-12(9-13)15-11(2)16/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,16).
What are the key properties of butyl 2-(3-acetamidophenoxy)acetate?
butyl 2-(3-acetamidophenoxy)acetate has a molecular weight of 265.31 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-acetamidophenoxy)acetate is sourced from PubChem (CID 54941709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).