[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C20H16N2O7 — CID 7951282

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H16N2O7/c1-28-15-9-5-4-8-14(15)18(25)21-16(23)11-29-17(24)10-22-19(26)12-6-2-3-7-13(12)20(22)27/h2-9H,10-11H2,1H3,(H,21,23,25)
InChIKeyFETZYDJQKAFENO-UHFFFAOYSA-N
MW396.36 g/mol
LogP0.79
Rot. Bonds6

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 7951282) has the molecular formula C20H16N2O7 and a molecular weight of 396.36 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID7951282
Molecular FormulaC20H16N2O7
Molecular Weight396.36 g/mol
Exact Mass396.10
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H16N2O7/c1-28-15-9-5-4-8-14(15)18(25)21-16(23)11-29-17(24)10-22-19(26)12-6-2-3-7-13(12)20(22)27/h2-9H,10-11H2,1H3,(H,21,23,25)
InChIKeyFETZYDJQKAFENO-UHFFFAOYSA-N
XLogP0.79
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2500083
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554664
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554604
[2-(3-methoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554588
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 30825535
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791148
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2336998
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554687
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918280
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598188

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 7951282) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is COc1ccccc1C(=O)NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is FETZYDJQKAFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O7/c1-28-15-9-5-4-8-14(15)18(25)21-16(23)11-29-17(24)10-22-19(26)12-6-2-3-7-13(12)20(22)27/h2-9H,10-11H2,1H3,(H,21,23,25).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 396.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 7951282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).