2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate

C17H21NO5 — CID 167478794

IUPAC2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate
SMILESCC(C)COC(=O)COc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C17H21NO5/c1-11(2)9-23-16(20)10-22-13-5-3-4-12(8-13)14-6-7-15(19)18-17(14)21/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,18,19,21)
InChIKeyPDLSTIVLLHHOJW-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.78
Rot. Bonds6

About 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate

2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate (PubChem CID 167478794) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate
PubChem CID167478794
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate
SMILESCC(C)COC(=O)COc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C17H21NO5/c1-11(2)9-23-16(20)10-22-13-5-3-4-12(8-13)14-6-7-15(19)18-17(14)21/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,18,19,21)
InChIKeyPDLSTIVLLHHOJW-UHFFFAOYSA-N
XLogP1.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione
CID 164540943
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
3-(3-piperidin-4-yloxyphenyl)piperidine-2,6-dione
CID 170325193
3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione
CID 177052102
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
CID 177052361
CID 177052361
2-methylpropyl 4-[3-[(3-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845961
(4R)-4-[3-(2-methylpropoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902215
N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689408
tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate
CID 164540922
4-[3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135633071
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate?
The IUPAC name of 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate (CID 167478794) is 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate.
What is the SMILES notation for 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate?
The canonical SMILES for 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate is CC(C)COC(=O)COc1cccc(C2CCC(=O)NC2=O)c1.
What is the InChIKey of 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate?
The InChIKey is PDLSTIVLLHHOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-11(2)9-23-16(20)10-22-13-5-3-4-12(8-13)14-6-7-15(19)18-17(14)21/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,18,19,21).
What are the key properties of 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate?
2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate has a molecular weight of 319.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate is sourced from PubChem (CID 167478794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).