[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate

C19H19NO6 — CID 24980588

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
SMILESCOc1ccccc1C(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O
InChIInChI=1S/C19H19NO6/c1-25-16-9-5-4-8-14(16)15(21)11-26-17(22)10-20-18(23)12-6-2-3-7-13(12)19(20)24/h2-5,8-9,12-13H,6-7,10-11H2,1H3
InChIKeyVBMCSGMHRUNQHW-UHFFFAOYSA-N
MW357.36 g/mol
LogP1.37
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate (PubChem CID 24980588) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
PubChem CID24980588
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
SMILESCOc1ccccc1C(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O
InChIInChI=1S/C19H19NO6/c1-25-16-9-5-4-8-14(16)15(21)11-26-17(22)10-20-18(23)12-6-2-3-7-13(12)19(20)24/h2-5,8-9,12-13H,6-7,10-11H2,1H3
InChIKeyVBMCSGMHRUNQHW-UHFFFAOYSA-N
XLogP1.37
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
CID 2356198
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-[(2-ethoxybenzoyl)amino]acetate
CID 2363865
Ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3600592
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
CID 4885444
[2-(2-Methoxyphenyl)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 16287058
[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate
CID 2337930
2-(4-methoxyphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
CID 2902140
2-(4-methoxyphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
CID 2925961
Ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate
CID 2997943
[1-(4-Methoxyphenyl)-1-oxopropan-2-yl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoate
CID 16317123
1-(4-methoxyphenyl)-1-oxopropan-2-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate
CID 4914658
2-(4-methoxyphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoate
CID 2902858

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate (CID 24980588) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate is COc1ccccc1C(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate?
The InChIKey is VBMCSGMHRUNQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-25-16-9-5-4-8-14(16)15(21)11-26-17(22)10-20-18(23)12-6-2-3-7-13(12)19(20)24/h2-5,8-9,12-13H,6-7,10-11H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate has a molecular weight of 357.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate is sourced from PubChem (CID 24980588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).