N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide

C18H16N2O3 — CID 646256

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(C)c1
InChIInChI=1S/C18H16N2O3/c1-12-6-5-7-14(10-12)19(13(2)21)11-20-17(22)15-8-3-4-9-16(15)18(20)23/h3-10H,11H2,1-2H3
InChIKeyXGXROTOSLDIONT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.60
Rot. Bonds3

About N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide

N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide (PubChem CID 646256) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide
PubChem CID646256
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(C)c1
InChIInChI=1S/C18H16N2O3/c1-12-6-5-7-14(10-12)19(13(2)21)11-20-17(22)15-8-3-4-9-16(15)18(20)23/h3-10H,11H2,1-2H3
InChIKeyXGXROTOSLDIONT-UHFFFAOYSA-N
XLogP2.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
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 N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide (CID 646256) is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide is CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(C)c1.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide?
The InChIKey is XGXROTOSLDIONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-6-5-7-14(10-12)19(13(2)21)11-20-17(22)15-8-3-4-9-16(15)18(20)23/h3-10H,11H2,1-2H3.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 646256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).