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

C24H20N2O4 — CID 1299134

IUPACN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C24H20N2O4/c1-2-7-22(27)25-16-8-6-11-18(14-16)30-19-12-13-20-21(15-19)24(29)26(23(20)28)17-9-4-3-5-10-17/h3-6,8-15H,2,7H2,1H3,(H,25,27)
InChIKeyGGHMKUBLTQFWRR-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.02
Rot. Bonds6

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

N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide (PubChem CID 1299134) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide
PubChem CID1299134
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C24H20N2O4/c1-2-7-22(27)25-16-8-6-11-18(14-16)30-19-12-13-20-21(15-19)24(29)26(23(20)28)17-9-4-3-5-10-17/h3-6,8-15H,2,7H2,1H3,(H,25,27)
InChIKeyGGHMKUBLTQFWRR-UHFFFAOYSA-N
XLogP5.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-2-(3-methoxyphenoxy)acetamide
CID 3591945
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide
CID 4198226
5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
CID 925737
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 56508320
2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
CID 17386922
N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide
CID 918540
ethyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate
CID 1081964
3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362062
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362050
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2436928

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide?
The IUPAC name of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide (CID 1299134) is N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide.
What is the SMILES notation for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide?
The canonical SMILES for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide is CCCC(=O)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]butanamide?
The InChIKey is GGHMKUBLTQFWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-7-22(27)25-16-8-6-11-18(14-16)30-19-12-13-20-21(15-19)24(29)26(23(20)28)17-9-4-3-5-10-17/h3-6,8-15H,2,7H2,1H3,(H,25,27).
What are the key properties of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide?
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide has a molecular weight of 400.43 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide is sourced from PubChem (CID 1299134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).