N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide

C24H20N2O4 — CID 5028313

IUPACN-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(c1ccc(Oc3ccc(C)c(C)c3)cc1)C2=O
InChIInChI=1S/C24H20N2O4/c1-14-7-10-19(13-15(14)2)30-18-11-8-17(9-12-18)26-23(28)20-5-4-6-21(25-16(3)27)22(20)24(26)29/h4-13H,1-3H3,(H,25,27)
InChIKeyKWLKFDHFYVMEFK-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.85
Rot. Bonds4

About N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide

N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 5028313) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID5028313
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(c1ccc(Oc3ccc(C)c(C)c3)cc1)C2=O
InChIInChI=1S/C24H20N2O4/c1-14-7-10-19(13-15(14)2)30-18-11-8-17(9-12-18)26-23(28)20-5-4-6-21(25-16(3)27)22(20)24(26)29/h4-13H,1-3H3,(H,25,27)
InChIKeyKWLKFDHFYVMEFK-UHFFFAOYSA-N
XLogP4.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.85
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-(3,4-dimethylphenoxy)phenyl]-4-nitroisoindole-1,3-dione
CID 4597058
N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 3898701
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide
CID 1026126
N-(3,4-dimethylphenyl)-2-[4-[4-[(3,4-dimethylphenyl)carbamoyl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3938030
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391
2-[3-(3,4-dimethylphenoxy)phenyl]-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 17297086
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
2-(4-acetylphenyl)-5-[2-(4-acetylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 1365085
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
CID 10335547
2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168518344
2-[4-[3-[1,3-dioxo-4-(2-phenylethynyl)isoindol-2-yl]phenoxy]phenyl]-4-(2-phenylethynyl)isoindole-1,3-dione
CID 101052172
2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione
CID 765583

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide (CID 5028313) is N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)N(c1ccc(Oc3ccc(C)c(C)c3)cc1)C2=O.
What is the InChIKey of N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is KWLKFDHFYVMEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-14-7-10-19(13-15(14)2)30-18-11-8-17(9-12-18)26-23(28)20-5-4-6-21(25-16(3)27)22(20)24(26)29/h4-13H,1-3H3,(H,25,27).
What are the key properties of N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide?
N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 400.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 5028313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).