2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide

C26H24N2O5 — CID 2896704

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)cc1OC
InChIInChI=1S/C26H24N2O5/c1-15-6-5-7-21(16(15)2)28-25(30)19-10-9-18(14-20(19)26(28)31)27-24(29)13-17-8-11-22(32-3)23(12-17)33-4/h5-12,14H,13H2,1-4H3,(H,27,29)
InChIKeyOKCNNHHTUUCIOP-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.30
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide (PubChem CID 2896704) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide
PubChem CID2896704
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)cc1OC
InChIInChI=1S/C26H24N2O5/c1-15-6-5-7-21(16(15)2)28-25(30)19-10-9-18(14-20(19)26(28)31)27-24(29)13-17-8-11-22(32-3)23(12-17)33-4/h5-12,14H,13H2,1-4H3,(H,27,29)
InChIKeyOKCNNHHTUUCIOP-UHFFFAOYSA-N
XLogP4.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 16913183
N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-3-methylbutanamide
CID 3872761
2-(3,4-dimethoxyphenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947176
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
CID 113032344
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
2-(4-methoxy-3-methylphenyl)-N-(3-methylphenyl)acetamide
CID 16848486
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56507447
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide (CID 2896704) is 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide?
The InChIKey is OKCNNHHTUUCIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-15-6-5-7-21(16(15)2)28-25(30)19-10-9-18(14-20(19)26(28)31)27-24(29)13-17-8-11-22(32-3)23(12-17)33-4/h5-12,14H,13H2,1-4H3,(H,27,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide has a molecular weight of 444.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide is sourced from PubChem (CID 2896704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).