N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C18H16N2O3 — CID 2785144

IUPACN-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C18H16N2O3/c1-11-7-8-15(12(2)9-11)19-16(21)10-20-17(22)13-5-3-4-6-14(13)18(20)23/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMSFRIZZDNBEGTR-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.54
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2785144) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2785144
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C18H16N2O3/c1-11-7-8-15(12(2)9-11)19-16(21)10-20-17(22)13-5-3-4-6-14(13)18(20)23/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMSFRIZZDNBEGTR-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.54
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 N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 2785144) is N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is MSFRIZZDNBEGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-7-8-15(12(2)9-11)19-16(21)10-20-17(22)13-5-3-4-6-14(13)18(20)23/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2785144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).