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

C24H20N2O4 — CID 3677999

IUPAC2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C24H20N2O4/c1-15-8-9-16(2)21(12-15)30-14-22(27)25-17-10-11-19-20(13-17)24(29)26(23(19)28)18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyNYCFMQYUWJBASY-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.12
Rot. Bonds5

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

2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide (PubChem CID 3677999) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
PubChem CID3677999
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C24H20N2O4/c1-15-8-9-16(2)21(12-15)30-14-22(27)25-17-10-11-19-20(13-17)24(29)26(23(19)28)18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyNYCFMQYUWJBASY-UHFFFAOYSA-N
XLogP4.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.12
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

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26907016
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-(2,5-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123518
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
CID 2885505
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 3591945
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide
CID 19169553
2-amino-N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192494
2-(4-chlorophenyl)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
CID 1300069
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
CID 839386
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide (CID 3677999) is 2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide?
The InChIKey is NYCFMQYUWJBASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15-8-9-16(2)21(12-15)30-14-22(27)25-17-10-11-19-20(13-17)24(29)26(23(19)28)18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide?
2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide has a molecular weight of 400.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide is sourced from PubChem (CID 3677999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).