propan-2-yl 2-(2-carbamoylphenoxy)acetate

C12H15NO4 — CID 24633131

IUPACpropan-2-yl 2-(2-carbamoylphenoxy)acetate
SMILESCC(C)OC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C12H15NO4/c1-8(2)17-11(14)7-16-10-6-4-3-5-9(10)12(13)15/h3-6,8H,7H2,1-2H3,(H2,13,15)
InChIKeyOOUYCNNSGWHTIE-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.12
Rot. Bonds5

About propan-2-yl 2-(2-carbamoylphenoxy)acetate

propan-2-yl 2-(2-carbamoylphenoxy)acetate (PubChem CID 24633131) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is propan-2-yl 2-(2-carbamoylphenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-carbamoylphenoxy)acetate
PubChem CID24633131
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namepropan-2-yl 2-(2-carbamoylphenoxy)acetate
SMILESCC(C)OC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C12H15NO4/c1-8(2)17-11(14)7-16-10-6-4-3-5-9(10)12(13)15/h3-6,8H,7H2,1-2H3,(H2,13,15)
InChIKeyOOUYCNNSGWHTIE-UHFFFAOYSA-N
XLogP1.12
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate
CID 78936379
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
CID 154452638
propan-2-yl 2-phenoxyacetate
CID 11367560
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-phenacyloxybenzamide
CID 43218588
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854087
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid
CID 172768099

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-carbamoylphenoxy)acetate?
The IUPAC name of propan-2-yl 2-(2-carbamoylphenoxy)acetate (CID 24633131) is propan-2-yl 2-(2-carbamoylphenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(2-carbamoylphenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(2-carbamoylphenoxy)acetate is CC(C)OC(=O)COc1ccccc1C(N)=O.
What is the InChIKey of propan-2-yl 2-(2-carbamoylphenoxy)acetate?
The InChIKey is OOUYCNNSGWHTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(2)17-11(14)7-16-10-6-4-3-5-9(10)12(13)15/h3-6,8H,7H2,1-2H3,(H2,13,15).
What are the key properties of propan-2-yl 2-(2-carbamoylphenoxy)acetate?
propan-2-yl 2-(2-carbamoylphenoxy)acetate has a molecular weight of 237.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-carbamoylphenoxy)acetate is sourced from PubChem (CID 24633131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).