N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C21H22N2O4 — CID 26907016

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C21H22N2O4/c1-12(2)15-7-5-13(3)9-18(15)27-11-19(24)22-14-6-8-16-17(10-14)21(26)23(4)20(16)25/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyXCUUZVAIXBHKQJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.36
Rot. Bonds5

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 26907016) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID26907016
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C21H22N2O4/c1-12(2)15-7-5-13(3)9-18(15)27-11-19(24)22-14-6-8-16-17(10-14)21(26)23(4)20(16)25/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyXCUUZVAIXBHKQJ-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.36
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-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 31060775
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922502
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 71708390
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 921044
2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32744375
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 26907016) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is XCUUZVAIXBHKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12(2)15-7-5-13(3)9-18(15)27-11-19(24)22-14-6-8-16-17(10-14)21(26)23(4)20(16)25/h5-10,12H,11H2,1-4H3,(H,22,24).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 26907016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).