ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate

C13H15NO5 — CID 7859274

IUPACethyl N-[2-(2-acetylphenoxy)acetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C13H15NO5/c1-3-18-13(17)14-12(16)8-19-11-7-5-4-6-10(11)9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyCXVMKUKIDPQTMA-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.54
Rot. Bonds5

About ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate

ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate (PubChem CID 7859274) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-acetylphenoxy)acetyl]carbamate
PubChem CID7859274
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameethyl N-[2-(2-acetylphenoxy)acetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C13H15NO5/c1-3-18-13(17)14-12(16)8-19-11-7-5-4-6-10(11)9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyCXVMKUKIDPQTMA-UHFFFAOYSA-N
XLogP1.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide
CID 112781556
3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380447
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014372
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
CID 24701029
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60911052
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701384
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919723
2-(2-acetylphenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 112781528
propyl 2-(2-acetylphenoxy)acetate
CID 82312019
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2572130

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate (CID 7859274) is ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate is CCOC(=O)NC(=O)COc1ccccc1C(C)=O.
What is the InChIKey of ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate?
The InChIKey is CXVMKUKIDPQTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-3-18-13(17)14-12(16)8-19-11-7-5-4-6-10(11)9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16,17).
What are the key properties of ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate?
ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate has a molecular weight of 265.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate is sourced from PubChem (CID 7859274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).