N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide

C22H24N2O6 — CID 84572626

IUPACN-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
SMILESCOc1ccc(OC)c(NC(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H24N2O6/c1-22(2,24-20(26)15-7-5-6-8-16(15)21(24)27)13-30-12-19(25)23-17-11-14(28-3)9-10-18(17)29-4/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyKLNGGMJSLCIMDK-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.73
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide

N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide (PubChem CID 84572626) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
PubChem CID84572626
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
SMILESCOc1ccc(OC)c(NC(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H24N2O6/c1-22(2,24-20(26)15-7-5-6-8-16(15)21(24)27)13-30-12-19(25)23-17-11-14(28-3)9-10-18(17)29-4/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyKLNGGMJSLCIMDK-UHFFFAOYSA-N
XLogP2.73
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(2-ethoxyphenyl)acetamide
CID 84572610
N-(2,4-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572606
N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572638
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 7962741
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572770
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 31459467
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2336998
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 3677014

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide (CID 84572626) is N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide is COc1ccc(OC)c(NC(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The InChIKey is KLNGGMJSLCIMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-22(2,24-20(26)15-7-5-6-8-16(15)21(24)27)13-30-12-19(25)23-17-11-14(28-3)9-10-18(17)29-4/h5-11H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide has a molecular weight of 412.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide is sourced from PubChem (CID 84572626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).