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

C24H18N2O5 — CID 56507840

IUPAC2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C24H18N2O5/c1-15(27)16-9-11-19(12-10-16)31-14-22(28)25-17-5-4-6-18(13-17)26-23(29)20-7-2-3-8-21(20)24(26)30/h2-13H,14H2,1H3,(H,25,28)
InChIKeyATKSSCUYPBBECD-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.71
Rot. Bonds6

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

2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide (PubChem CID 56507840) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
PubChem CID56507840
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C24H18N2O5/c1-15(27)16-9-11-19(12-10-16)31-14-22(28)25-17-5-4-6-18(13-17)26-23(29)20-7-2-3-8-21(20)24(26)30/h2-13H,14H2,1H3,(H,25,28)
InChIKeyATKSSCUYPBBECD-UHFFFAOYSA-N
XLogP3.71
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.71
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

N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
CID 2885505
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 56508320
2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 2709986
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 3591945
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
CID 110352302
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
3-[[2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetyl]amino]benzoic acid
CID 10252097
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56507447
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2436928

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide (CID 56507840) is 2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide is CC(=O)c1ccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The InChIKey is ATKSSCUYPBBECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c1-15(27)16-9-11-19(12-10-16)31-14-22(28)25-17-5-4-6-18(13-17)26-23(29)20-7-2-3-8-21(20)24(26)30/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide has a molecular weight of 414.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 56507840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).