N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide

C29H22N2O6 — CID 3591945

IUPACN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)c2)c1
InChIInChI=1S/C29H22N2O6/c1-35-21-10-6-11-22(16-21)36-18-27(32)30-19-7-5-12-23(15-19)37-24-13-14-25-26(17-24)29(34)31(28(25)33)20-8-3-2-4-9-20/h2-17H,18H2,1H3,(H,30,32)
InChIKeyVKPQZTCPIGPCCJ-UHFFFAOYSA-N
MW494.50 g/mol
LogP5.31
Rot. Bonds8

About N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide

N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 3591945) has the molecular formula C29H22N2O6 and a molecular weight of 494.50 g/mol. Its IUPAC name is N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide
PubChem CID3591945
Molecular FormulaC29H22N2O6
Molecular Weight494.50 g/mol
Exact Mass494.15
IUPAC NameN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)c2)c1
InChIInChI=1S/C29H22N2O6/c1-35-21-10-6-11-22(16-21)36-18-27(32)30-19-7-5-12-23(15-19)37-24-13-14-25-26(17-24)29(34)31(28(25)33)20-8-3-2-4-9-20/h2-17H,18H2,1H3,(H,30,32)
InChIKeyVKPQZTCPIGPCCJ-UHFFFAOYSA-N
XLogP5.31
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.50
LogP ≤ 55.31
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

N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
CID 2885505
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide
CID 1299134
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide
CID 4198226
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56507840
2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
CID 3677999
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide (CID 3591945) is N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)c2)c1.
What is the InChIKey of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is VKPQZTCPIGPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O6/c1-35-21-10-6-11-22(16-21)36-18-27(32)30-19-7-5-12-23(15-19)37-24-13-14-25-26(17-24)29(34)31(28(25)33)20-8-3-2-4-9-20/h2-17H,18H2,1H3,(H,30,32).
What are the key properties of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide?
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 494.50 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 3591945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).