N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide

C27H34N4O5 — CID 129236702

About N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide (PubChem CID 129236702) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide.

Molecular Properties

• Compound Name: N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide
• PubChem CID: 129236702
• Molecular Formula: C27H34N4O5
• Molecular Weight: 494.59 g/mol
• Exact Mass: 494.25
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide
• SMILES: CNCCN(CC=O)Cc1ccc(COc2cccc(C)c2CN(C=O)C2CCC(=O)NC2=O)cc1
• InChI: InChI=1S/C27H34N4O5/c1-20-4-3-5-25(23(20)17-31(19-33)24-10-11-26(34)29-27(24)35)36-18-22-8-6-21(7-9-22)16-30(14-15-32)13-12-28-2/h3-9,15,19,24,28H,10-14,16-18H2,1-2H3,(H,29,34,35)
• InChIKey: RLNLAQLJWCRHPD-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.59
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide?

The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide (CID 129236702) is N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide.

What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide?

The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide is CNCCN(CC=O)Cc1ccc(COc2cccc(C)c2CN(C=O)C2CCC(=O)NC2=O)cc1.

What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide?

The InChIKey is RLNLAQLJWCRHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-20-4-3-5-25(23(20)17-31(19-33)24-10-11-26(34)29-27(24)35)36-18-22-8-6-21(7-9-22)16-30(14-15-32)13-12-28-2/h3-9,15,19,24,28H,10-14,16-18H2,1-2H3,(H,29,34,35).

What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide?

N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide has a molecular weight of 494.59 g/mol, XLogP of 1.56, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide is sourced from PubChem (CID 129236702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).