[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate

C19H16N2O5 — CID 1364623

IUPAC[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C19H16N2O5/c1-11-9-13(26-12(2)22)7-8-16(11)20-17(23)10-21-18(24)14-5-3-4-6-15(14)19(21)25/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyLKGOUCSTVRHHJH-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.16
Rot. Bonds4

About [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate

[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate (PubChem CID 1364623) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate.

Molecular Properties

Compound Name[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate
PubChem CID1364623
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C19H16N2O5/c1-11-9-13(26-12(2)22)7-8-16(11)20-17(23)10-21-18(24)14-5-3-4-6-15(14)19(21)25/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyLKGOUCSTVRHHJH-UHFFFAOYSA-N
XLogP2.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate?
The IUPAC name of [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate (CID 1364623) is [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate.
What is the SMILES notation for [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate?
The canonical SMILES for [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate is CC(=O)Oc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1.
What is the InChIKey of [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate?
The InChIKey is LKGOUCSTVRHHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-11-9-13(26-12(2)22)7-8-16(11)20-17(23)10-21-18(24)14-5-3-4-6-15(14)19(21)25/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate?
[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate has a molecular weight of 352.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylphenyl] acetate is sourced from PubChem (CID 1364623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).