N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide

C28H26N2O6 — CID 17361930

IUPACN-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1
InChIInChI=1S/C28H26N2O6/c1-2-34-25-11-4-3-10-23(25)26(31)29-18-7-5-8-19(15-18)36-20-12-13-22-24(16-20)28(33)30(27(22)32)17-21-9-6-14-35-21/h3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,29,31)
InChIKeyIOQOTYNOVCSORV-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.90
Rot. Bonds8

About N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide

N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide (PubChem CID 17361930) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide
PubChem CID17361930
Molecular FormulaC28H26N2O6
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC NameN-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1
InChIInChI=1S/C28H26N2O6/c1-2-34-25-11-4-3-10-23(25)26(31)29-18-7-5-8-19(15-18)36-20-12-13-22-24(16-20)28(33)30(27(22)32)17-21-9-6-14-35-21/h3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,29,31)
InChIKeyIOQOTYNOVCSORV-UHFFFAOYSA-N
XLogP4.90
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.90
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-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide
CID 17361913
N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-methoxybenzamide
CID 17362416
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362050
3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362062
N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-iodobenzamide
CID 17362402
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide
CID 17362007
N-(2-ethoxyphenyl)-1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 1330274
2-(4-chlorophenyl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17361940
[3-[[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]carbamoyl]phenyl] propanoate
CID 17362437
2-(3,4-dimethylphenoxy)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362136
2-(2,4-dichlorophenoxy)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17362023
5-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxy-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 1231025

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide?
The IUPAC name of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide (CID 17361930) is N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1.
What is the InChIKey of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide?
The InChIKey is IOQOTYNOVCSORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c1-2-34-25-11-4-3-10-23(25)26(31)29-18-7-5-8-19(15-18)36-20-12-13-22-24(16-20)28(33)30(27(22)32)17-21-9-6-14-35-21/h3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,29,31).
What are the key properties of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide?
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide has a molecular weight of 486.52 g/mol, XLogP of 4.90, 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-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide is sourced from PubChem (CID 17361930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).