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

C28H20N2O5 — CID 2885505

IUPACN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C28H20N2O5/c31-26(18-34-21-11-5-2-6-12-21)29-19-8-7-13-22(16-19)35-23-14-15-24-25(17-23)28(33)30(27(24)32)20-9-3-1-4-10-20/h1-17H,18H2,(H,29,31)
InChIKeyHOBAPVHWXNSMTD-UHFFFAOYSA-N
MW464.48 g/mol
LogP5.30
Rot. Bonds7

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

N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide (PubChem CID 2885505) has the molecular formula C28H20N2O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
PubChem CID2885505
Molecular FormulaC28H20N2O5
Molecular Weight464.48 g/mol
Exact Mass464.14
IUPAC NameN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C28H20N2O5/c31-26(18-34-21-11-5-2-6-12-21)29-19-8-7-13-22(16-19)35-23-14-15-24-25(17-23)28(33)30(27(24)32)20-9-3-1-4-10-20/h1-17H,18H2,(H,29,31)
InChIKeyHOBAPVHWXNSMTD-UHFFFAOYSA-N
XLogP5.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 55.30
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

N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 3591945
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide
CID 1299134
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide
CID 4198226
2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56507840
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
CID 3677999
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2436928
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide
CID 19169553
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 1319335

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide (CID 2885505) is N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1.
What is the InChIKey of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide?
The InChIKey is HOBAPVHWXNSMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O5/c31-26(18-34-21-11-5-2-6-12-21)29-19-8-7-13-22(16-19)35-23-14-15-24-25(17-23)28(33)30(27(24)32)20-9-3-1-4-10-20/h1-17H,18H2,(H,29,31).
What are the key properties of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide?
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide has a molecular weight of 464.48 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 2885505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).