2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide

C19H18N2O3 — CID 680595

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O3/c1-12(2)13-7-5-6-10-16(13)20-17(22)11-21-18(23)14-8-3-4-9-15(14)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyHDRRDMORUCDDPD-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.04
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 680595) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID680595
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O3/c1-12(2)13-7-5-6-10-16(13)20-17(22)11-21-18(23)14-8-3-4-9-15(14)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyHDRRDMORUCDDPD-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 680595) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is HDRRDMORUCDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(2)13-7-5-6-10-16(13)20-17(22)11-21-18(23)14-8-3-4-9-15(14)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 680595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).