2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide

C18H16N2O4 — CID 833615

IUPAC2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H16N2O4/c1-11-7-12(2)9-13(8-11)24-10-16(21)19-20-17(22)14-5-3-4-6-15(14)18(20)23/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyFAKNAVMXLBQEFA-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.01
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide

2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 833615) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID833615
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H16N2O4/c1-11-7-12(2)9-13(8-11)24-10-16(21)19-20-17(22)14-5-3-4-6-15(14)18(20)23/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyFAKNAVMXLBQEFA-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
2-(2-sec-butylphenoxy)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 2900575
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-ethoxy-2-methylbenzohydrazide
CID 9864771
N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 879404
N-(1,3-dioxoisoindol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 882882
N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(2-isopropylphenoxy)acetamide
CID 965730
2-(2,4-dimethylphenoxy)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 969138
(3,5-Dimethyl-phenoxy)-acetic acid N'-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetyl]-hydrazide
CID 1115990
2-(2-bromo-4-isopropylphenoxy)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 2214258
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
CID 2789372
N-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-ethoxybenzamide
CID 5072859
N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2139657

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide (CID 833615) is 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide is Cc1cc(C)cc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is FAKNAVMXLBQEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-7-12(2)9-13(8-11)24-10-16(21)19-20-17(22)14-5-3-4-6-15(14)18(20)23/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 833615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).