(4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate

C37H51N7O7 — CID 166715210

About (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate

(4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate (PubChem CID 166715210) has the molecular formula C37H51N7O7 and a molecular weight of 705.86 g/mol. Its IUPAC name is (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate.

Molecular Properties

• Compound Name: (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate
• PubChem CID: 166715210
• Molecular Formula: C37H51N7O7
• Molecular Weight: 705.86 g/mol
• Exact Mass: 705.38
• IUPAC Name: (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate
• SMILES: CNC1CCN(CCOCCCC2(NC(=O)OCc3ccc(NC=O)cc3)CN(c3cccc(C)c3CN(C=O)C3CCC(=O)NC3=O)C2)CC1
• InChI: InChI=1S/C37H51N7O7/c1-27-5-3-6-32(31(27)21-43(26-46)33-11-12-34(47)40-35(33)48)44-23-37(24-44,15-4-19-50-20-18-42-16-13-29(38-2)14-17-42)41-36(49)51-22-28-7-9-30(10-8-28)39-25-45/h3,5-10,25-26,29,33,38H,4,11-24H2,1-2H3,(H,39,45)(H,41,49)(H,40,47,48)
• InChIKey: UMKMHKPDGPNEPZ-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 161.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	705.86
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate?

The IUPAC name of (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate (CID 166715210) is (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate.

What is the SMILES notation for (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate?

The canonical SMILES for (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate is CNC1CCN(CCOCCCC2(NC(=O)OCc3ccc(NC=O)cc3)CN(c3cccc(C)c3CN(C=O)C3CCC(=O)NC3=O)C2)CC1.

What is the InChIKey of (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate?

The InChIKey is UMKMHKPDGPNEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N7O7/c1-27-5-3-6-32(31(27)21-43(26-46)33-11-12-34(47)40-35(33)48)44-23-37(24-44,15-4-19-50-20-18-42-16-13-29(38-2)14-17-42)41-36(49)51-22-28-7-9-30(10-8-28)39-25-45/h3,5-10,25-26,29,33,38H,4,11-24H2,1-2H3,(H,39,45)(H,41,49)(H,40,47,48).

What are the key properties of (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate?

(4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate has a molecular weight of 705.86 g/mol, XLogP of 2.29, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4-formamidophenyl)methyl N-[1-[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]-3-[3-[2-[4-(methylamino)piperidin-1-yl]ethoxy]propyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 166715210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).