(1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate

C20H18N2O5 — CID 7998412

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H18N2O5/c1-12-7-13(2)9-14(8-12)18(24)21-10-17(23)27-11-22-19(25)15-5-3-4-6-16(15)20(22)26/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyOAQYLWFDFGZTOI-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.83
Rot. Bonds5

About (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate

(1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 7998412) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID7998412
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H18N2O5/c1-12-7-13(2)9-14(8-12)18(24)21-10-17(23)27-11-22-19(25)15-5-3-4-6-16(15)20(22)26/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyOAQYLWFDFGZTOI-UHFFFAOYSA-N
XLogP1.83
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 7998412) is (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate is Cc1cc(C)cc(C(=O)NCC(=O)OCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is OAQYLWFDFGZTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-7-13(2)9-14(8-12)18(24)21-10-17(23)27-11-22-19(25)15-5-3-4-6-16(15)20(22)26/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
(1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 366.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 7998412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).