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

C20H18N2O5 — CID 4131655

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H18N2O5/c1-21(11-14-7-3-2-4-8-14)17(23)13-27-18(24)12-22-19(25)15-9-5-6-10-16(15)20(22)26/h2-10H,11-13H2,1H3
InChIKeyZWVSUHXKLJUDIQ-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.48
Rot. Bonds6

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

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 4131655) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID4131655
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H18N2O5/c1-21(11-14-7-3-2-4-8-14)17(23)13-27-18(24)12-22-19(25)15-9-5-6-10-16(15)20(22)26/h2-10H,11-13H2,1H3
InChIKeyZWVSUHXKLJUDIQ-UHFFFAOYSA-N
XLogP1.48
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 4131655) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is CN(Cc1ccccc1)C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is ZWVSUHXKLJUDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-21(11-14-7-3-2-4-8-14)17(23)13-27-18(24)12-22-19(25)15-9-5-6-10-16(15)20(22)26/h2-10H,11-13H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 366.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 4131655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).