[2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate

C29H36N4O5 — CID 144926427

About [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate

[2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate (PubChem CID 144926427) has the molecular formula C29H36N4O5 and a molecular weight of 520.63 g/mol. Its IUPAC name is [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate.

Molecular Properties

• Compound Name: [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
• PubChem CID: 144926427
• Molecular Formula: C29H36N4O5
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.27
• IUPAC Name: [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
• SMILES: CCCCCN(CCC)c1ccc(OC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c(C)c1
• InChI: InChI=1S/C29H36N4O5/c1-4-6-7-16-32(15-5-2)20-11-13-25(19(3)17-20)38-29(37)30-23-10-8-9-21-22(23)18-33(28(21)36)24-12-14-26(34)31-27(24)35/h8-11,13,17,24H,4-7,12,14-16,18H2,1-3H3,(H,30,37)(H,31,34,35)
• InChIKey: DPHVWMISSSUUOC-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

The IUPAC name of [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate (CID 144926427) is [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate.

What is the SMILES notation for [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

The canonical SMILES for [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate is CCCCCN(CCC)c1ccc(OC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c(C)c1.

What is the InChIKey of [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

The InChIKey is DPHVWMISSSUUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O5/c1-4-6-7-16-32(15-5-2)20-11-13-25(19(3)17-20)38-29(37)30-23-10-8-9-21-22(23)18-33(28(21)36)24-12-14-26(34)31-27(24)35/h8-11,13,17,24H,4-7,12,14-16,18H2,1-3H3,(H,30,37)(H,31,34,35).

What are the key properties of [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

[2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate has a molecular weight of 520.63 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-4-[pentyl(propyl)amino]phenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate is sourced from PubChem (CID 144926427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).