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

C25H35N3O5 — CID 70911534

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide
SMILESCCCCCCCCCCC(=O)NCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C21
InChIInChI=1S/C25H35N3O5/c1-2-3-4-5-6-7-8-9-13-20(29)26-16-17-11-10-12-18-22(17)25(33)28(24(18)32)19-14-15-21(30)27-23(19)31/h10-12,17,19,22H,2-9,13-16H2,1H3,(H,26,29)(H,27,30,31)
InChIKeyFVQOGCDEHMSXDG-UHFFFAOYSA-N
MW457.57 g/mol
LogP2.54
Rot. Bonds12

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

N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide (PubChem CID 70911534) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide
PubChem CID70911534
Molecular FormulaC25H35N3O5
Molecular Weight457.57 g/mol
Exact Mass457.26
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide
SMILESCCCCCCCCCCC(=O)NCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C21
InChIInChI=1S/C25H35N3O5/c1-2-3-4-5-6-7-8-9-13-20(29)26-16-17-11-10-12-18-22(17)25(33)28(24(18)32)19-14-15-21(30)27-23(19)31/h10-12,17,19,22H,2-9,13-16H2,1H3,(H,26,29)(H,27,30,31)
InChIKeyFVQOGCDEHMSXDG-UHFFFAOYSA-N
XLogP2.54
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]undecanamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide (CID 70911534) is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide is CCCCCCCCCCC(=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]undecanamide?
The InChIKey is FVQOGCDEHMSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5/c1-2-3-4-5-6-7-8-9-13-20(29)26-16-17-11-10-12-18-22(17)25(33)28(24(18)32)19-14-15-21(30)27-23(19)31/h10-12,17,19,22H,2-9,13-16H2,1H3,(H,26,29)(H,27,30,31).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide has a molecular weight of 457.57 g/mol, XLogP of 2.54, 12 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]undecanamide is sourced from PubChem (CID 70911534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).