1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate

C18H23NO6 — CID 84572873

IUPAC1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate
SMILESCOCC(C)OC(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H23NO6/c1-12(9-23-4)25-15(20)10-24-11-18(2,3)19-16(21)13-7-5-6-8-14(13)17(19)22/h5-8,12H,9-11H2,1-4H3
InChIKeyXADJRRZWBRJMPB-UHFFFAOYSA-N
MW349.38 g/mol
LogP1.66
Rot. Bonds8

About 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate

1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate (PubChem CID 84572873) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate
PubChem CID84572873
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate
SMILESCOCC(C)OC(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H23NO6/c1-12(9-23-4)25-15(20)10-24-11-18(2,3)19-16(21)13-7-5-6-8-14(13)17(19)22/h5-8,12H,9-11H2,1-4H3
InChIKeyXADJRRZWBRJMPB-UHFFFAOYSA-N
XLogP1.66
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide
CID 84572826
N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572770
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide
CID 84572767
N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide
CID 84572827
2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione
CID 84572754
N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572626
N-(2,4-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572606
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(2-ethoxyphenyl)acetamide
CID 84572610
N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572638
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 84572829
2-methylpropyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84572830
ethyl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]butanoate
CID 84572845

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate?
The IUPAC name of 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate (CID 84572873) is 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate?
The canonical SMILES for 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate is COCC(C)OC(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate?
The InChIKey is XADJRRZWBRJMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-12(9-23-4)25-15(20)10-24-11-18(2,3)19-16(21)13-7-5-6-8-14(13)17(19)22/h5-8,12H,9-11H2,1-4H3.
What are the key properties of 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate?
1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate has a molecular weight of 349.38 g/mol, XLogP of 1.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate is sourced from PubChem (CID 84572873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).