tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate

C23H24N2O6 — CID 19001966

IUPACtert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate
SMILESCOc1ccccc1N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H24N2O6/c1-23(2,3)31-20(27)14-24(17-11-7-8-12-18(17)30-4)19(26)13-25-21(28)15-9-5-6-10-16(15)22(25)29/h5-12H,13-14H2,1-4H3
InChIKeyOAUHSDAYYNHISQ-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.67
Rot. Bonds6

About tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate

tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate (PubChem CID 19001966) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate
PubChem CID19001966
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Nametert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate
SMILESCOc1ccccc1N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H24N2O6/c1-23(2,3)31-20(27)14-24(17-11-7-8-12-18(17)30-4)19(26)13-25-21(28)15-9-5-6-10-16(15)22(25)29/h5-12H,13-14H2,1-4H3
InChIKeyOAUHSDAYYNHISQ-UHFFFAOYSA-N
XLogP2.67
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate?
The IUPAC name of tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate (CID 19001966) is tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate.
What is the SMILES notation for tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate?
The canonical SMILES for tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate is COc1ccccc1N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate?
The InChIKey is OAUHSDAYYNHISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-23(2,3)31-20(27)14-24(17-11-7-8-12-18(17)30-4)19(26)13-25-21(28)15-9-5-6-10-16(15)22(25)29/h5-12H,13-14H2,1-4H3.
What are the key properties of tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate?
tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate has a molecular weight of 424.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate is sourced from PubChem (CID 19001966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).