N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide

C23H18N2O5 — CID 1319335

IUPACN-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C23H18N2O5/c1-14-5-2-3-8-20(14)29-13-21(26)24-15-6-4-7-16(11-15)30-17-9-10-18-19(12-17)23(28)25-22(18)27/h2-12H,13H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyASZRPMLVQJPXGG-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.69
Rot. Bonds6

About N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide

N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 1319335) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide
PubChem CID1319335
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC NameN-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C23H18N2O5/c1-14-5-2-3-8-20(14)29-13-21(26)24-15-6-4-7-16(11-15)30-17-9-10-18-19(12-17)23(28)25-22(18)27/h2-12H,13H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyASZRPMLVQJPXGG-UHFFFAOYSA-N
XLogP3.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dioxoisoindol-5-yl)-2-phenoxyacetamide
CID 881938
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
3-cyclohexyl-N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
CID 17342290
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
CID 2885505
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 3591945
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid
CID 3306874
2-(2,5-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123518

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide (CID 1319335) is N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is ASZRPMLVQJPXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-14-5-2-3-8-20(14)29-13-21(26)24-15-6-4-7-16(11-15)30-17-9-10-18-19(12-17)23(28)25-22(18)27/h2-12H,13H2,1H3,(H,24,26)(H,25,27,28).
What are the key properties of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide?
N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 402.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1319335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).