methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate

C12H15NO4 — CID 43537890

IUPACmethyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1cccc(C(N)=O)c1
InChIInChI=1S/C12H15NO4/c1-8(12(15)16-2)7-17-10-5-3-4-9(6-10)11(13)14/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyRNWQGQPKHAGQFS-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.97
Rot. Bonds5

About methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate

methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate (PubChem CID 43537890) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
PubChem CID43537890
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1cccc(C(N)=O)c1
InChIInChI=1S/C12H15NO4/c1-8(12(15)16-2)7-17-10-5-3-4-9(6-10)11(13)14/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyRNWQGQPKHAGQFS-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-amino-2-methyl-3-sulfanylidenepropoxy)benzamide
CID 82147616
2-amino-3-(3-carbamoylphenoxy)propanoic acid
CID 65442579
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-propoxybenzamide
CID 22311435
methyl 2-acetamido-3-(3-propan-2-ylphenoxy)propanoate
CID 65442173
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057
3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide
CID 109416216
methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate
CID 62495797
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
methyl 3-(4-iodophenoxy)-2-methylpropanoate
CID 43538009
methyl 2-methyl-3-(4-propanoylphenoxy)propanoate
CID 43537743

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate?
The IUPAC name of methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate (CID 43537890) is methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate?
The canonical SMILES for methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate is COC(=O)C(C)COc1cccc(C(N)=O)c1.
What is the InChIKey of methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate?
The InChIKey is RNWQGQPKHAGQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(15)16-2)7-17-10-5-3-4-9(6-10)11(13)14/h3-6,8H,7H2,1-2H3,(H2,13,14).
What are the key properties of methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate?
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate has a molecular weight of 237.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate is sourced from PubChem (CID 43537890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).