N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide

C17H19N3O5 — CID 141245434

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C21
InChIInChI=1S/C17H19N3O5/c1-2-12(21)18-8-9-4-3-5-10-14(9)17(25)20(16(10)24)11-6-7-13(22)19-15(11)23/h3-5,9,11,14H,2,6-8H2,1H3,(H,18,21)(H,19,22,23)
InChIKeyKJUUVSOOUZMLKV-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.58
Rot. Bonds4

About N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide

N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide (PubChem CID 141245434) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide
PubChem CID141245434
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C21
InChIInChI=1S/C17H19N3O5/c1-2-12(21)18-8-9-4-3-5-10-14(9)17(25)20(16(10)24)11-6-7-13(22)19-15(11)23/h3-5,9,11,14H,2,6-8H2,1H3,(H,18,21)(H,19,22,23)
InChIKeyKJUUVSOOUZMLKV-UHFFFAOYSA-N
XLogP-0.58
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.58
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-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide (CID 141245434) is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide is CCC(=O)NCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C21.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide?
The InChIKey is KJUUVSOOUZMLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-2-12(21)18-8-9-4-3-5-10-14(9)17(25)20(16(10)24)11-6-7-13(22)19-15(11)23/h3-5,9,11,14H,2,6-8H2,1H3,(H,18,21)(H,19,22,23).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide has a molecular weight of 345.36 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]propanamide is sourced from PubChem (CID 141245434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).