4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate

C18H20N4O6 — CID 175445106

About 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate

4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate (PubChem CID 175445106) has the molecular formula C18H20N4O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate.

Molecular Properties

• Compound Name: 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
• PubChem CID: 175445106
• Molecular Formula: C18H20N4O6
• Molecular Weight: 388.38 g/mol
• Exact Mass: 388.14
• IUPAC Name: 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
• SMILES: NC(=O)OCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C18H20N4O6/c19-18(27)28-9-2-1-8-20-11-5-3-4-10-14(11)17(26)22(16(10)25)12-6-7-13(23)21-15(12)24/h3-5,12,20H,1-2,6-9H2,(H2,19,27)(H,21,23,24)
• InChIKey: FUCANFVUOZGARC-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 147.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.38
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate?

The IUPAC name of 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate (CID 175445106) is 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate.

What is the SMILES notation for 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate?

The canonical SMILES for 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate is NC(=O)OCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate?

The InChIKey is FUCANFVUOZGARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6/c19-18(27)28-9-2-1-8-20-11-5-3-4-10-14(11)17(26)22(16(10)25)12-6-7-13(23)21-15(12)24/h3-5,12,20H,1-2,6-9H2,(H2,19,27)(H,21,23,24).

What are the key properties of 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate?

4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate has a molecular weight of 388.38 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate is sourced from PubChem (CID 175445106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).