2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide

C18H19N3O5 — CID 89122608

IUPAC2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
SMILESNC(=O)C(CCC=O)N1C(=O)c2ccc(NCC3CC=CO3)cc2C1=O
InChIInChI=1S/C18H19N3O5/c19-16(23)15(4-1-7-22)21-17(24)13-6-5-11(9-14(13)18(21)25)20-10-12-3-2-8-26-12/h2,5-9,12,15,20H,1,3-4,10H2,(H2,19,23)
InChIKeyDNOASSNOUDALIR-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.83
Rot. Bonds8

About 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide

2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide (PubChem CID 89122608) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide.

Molecular Properties

Compound Name2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
PubChem CID89122608
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
SMILESNC(=O)C(CCC=O)N1C(=O)c2ccc(NCC3CC=CO3)cc2C1=O
InChIInChI=1S/C18H19N3O5/c19-16(23)15(4-1-7-22)21-17(24)13-6-5-11(9-14(13)18(21)25)20-10-12-3-2-8-26-12/h2,5-9,12,15,20H,1,3-4,10H2,(H2,19,23)
InChIKeyDNOASSNOUDALIR-UHFFFAOYSA-N
XLogP0.83
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
The IUPAC name of 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide (CID 89122608) is 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide.
What is the SMILES notation for 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
The canonical SMILES for 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide is NC(=O)C(CCC=O)N1C(=O)c2ccc(NCC3CC=CO3)cc2C1=O.
What is the InChIKey of 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
The InChIKey is DNOASSNOUDALIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c19-16(23)15(4-1-7-22)21-17(24)13-6-5-11(9-14(13)18(21)25)20-10-12-3-2-8-26-12/h2,5-9,12,15,20H,1,3-4,10H2,(H2,19,23).
What are the key properties of 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide has a molecular weight of 357.37 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydrofuran-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 89122608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).