2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide

C18H16N2O3 — CID 874332

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-13(9-7-12)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyQKBGMMOQUUXRTO-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.91
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 874332) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID874332
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-13(9-7-12)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyQKBGMMOQUUXRTO-UHFFFAOYSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110779654
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
N-[(4-methylphenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide
CID 22553290
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
(4-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670574
methyl 5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxylate
CID 46285446
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 47095418
N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 30847840
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 37425268

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 874332) is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is QKBGMMOQUUXRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-6-8-13(9-7-12)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 308.34 g/mol, XLogP of 1.91, 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 874332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).