N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide

C23H18N2O5 — CID 1107366

IUPACN-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1
InChIInChI=1S/C23H18N2O5/c1-2-21(27)24-14-3-9-17(10-4-14)30-18-11-12-19-20(13-18)23(29)25(22(19)28)15-5-7-16(26)8-6-15/h3-13,26H,2H2,1H3,(H,24,27)
InChIKeyAVQACDOULFBSTD-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.33
Rot. Bonds5

About N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide

N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide (PubChem CID 1107366) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide
PubChem CID1107366
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC NameN-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1
InChIInChI=1S/C23H18N2O5/c1-2-21(27)24-14-3-9-17(10-4-14)30-18-11-12-19-20(13-18)23(29)25(22(19)28)15-5-7-16(26)8-6-15/h3-13,26H,2H2,1H3,(H,24,27)
InChIKeyAVQACDOULFBSTD-UHFFFAOYSA-N
XLogP4.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide?
The IUPAC name of N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide (CID 1107366) is N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide.
What is the SMILES notation for N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide?
The canonical SMILES for N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide is CCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1.
What is the InChIKey of N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide?
The InChIKey is AVQACDOULFBSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-2-21(27)24-14-3-9-17(10-4-14)30-18-11-12-19-20(13-18)23(29)25(22(19)28)15-5-7-16(26)8-6-15/h3-13,26H,2H2,1H3,(H,24,27).
What are the key properties of N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide?
N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide has a molecular weight of 402.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propanamide is sourced from PubChem (CID 1107366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).