2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide

C19H18N2O5 — CID 162649754

IUPAC2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide
SMILESO=C(NO)C(OCCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O5/c22-17(20-25)16(13-7-2-1-3-8-13)26-12-6-11-21-18(23)14-9-4-5-10-15(14)19(21)24/h1-5,7-10,16,25H,6,11-12H2,(H,20,22)
InChIKeyZZLGCXFNIQEECP-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.94
Rot. Bonds7

About 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide

2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide (PubChem CID 162649754) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide
PubChem CID162649754
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide
SMILESO=C(NO)C(OCCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O5/c22-17(20-25)16(13-7-2-1-3-8-13)26-12-6-11-21-18(23)14-9-4-5-10-15(14)19(21)24/h1-5,7-10,16,25H,6,11-12H2,(H,20,22)
InChIKeyZZLGCXFNIQEECP-UHFFFAOYSA-N
XLogP1.94
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide?
The IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide (CID 162649754) is 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide is O=C(NO)C(OCCCN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide?
The InChIKey is ZZLGCXFNIQEECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-17(20-25)16(13-7-2-1-3-8-13)26-12-6-11-21-18(23)14-9-4-5-10-15(14)19(21)24/h1-5,7-10,16,25H,6,11-12H2,(H,20,22).
What are the key properties of 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide?
2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide has a molecular weight of 354.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 162649754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).