3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide

C17H14N2O4 — CID 699188

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(O)c1
InChIInChI=1S/C17H14N2O4/c20-12-5-3-4-11(10-12)18-15(21)8-9-19-16(22)13-6-1-2-7-14(13)17(19)23/h1-7,10,20H,8-9H2,(H,18,21)
InChIKeySJNINDHIZXONAE-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.02
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide (PubChem CID 699188) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide
PubChem CID699188
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(O)c1
InChIInChI=1S/C17H14N2O4/c20-12-5-3-4-11(10-12)18-15(21)8-9-19-16(22)13-6-1-2-7-14(13)17(19)23/h1-7,10,20H,8-9H2,(H,18,21)
InChIKeySJNINDHIZXONAE-UHFFFAOYSA-N
XLogP2.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide (CID 699188) is 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide?
The InChIKey is SJNINDHIZXONAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-12-5-3-4-11(10-12)18-15(21)8-9-19-16(22)13-6-1-2-7-14(13)17(19)23/h1-7,10,20H,8-9H2,(H,18,21).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide has a molecular weight of 310.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 699188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).