2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide

C28H36N4O3 — CID 143057845

About 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide

2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide (PubChem CID 143057845) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide
• PubChem CID: 143057845
• Molecular Formula: C28H36N4O3
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.28
• IUPAC Name: 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide
• SMILES: Cc1ccccc1CNCC(=O)NCC(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1
• InChI: InChI=1S/C28H36N4O3/c1-21-7-2-3-8-23(21)17-29-18-26(33)30-19-28(35)31-15-12-22(13-16-31)25-10-5-4-9-24(25)20-32-14-6-11-27(32)34/h2-5,7-10,22,29H,6,11-20H2,1H3,(H,30,33)
• InChIKey: RGBHBIAWEZQGJW-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide?

The IUPAC name of 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide (CID 143057845) is 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide?

The canonical SMILES for 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide is Cc1ccccc1CNCC(=O)NCC(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1.

What is the InChIKey of 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide?

The InChIKey is RGBHBIAWEZQGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-21-7-2-3-8-23(21)17-29-18-26(33)30-19-28(35)31-15-12-22(13-16-31)25-10-5-4-9-24(25)20-32-14-6-11-27(32)34/h2-5,7-10,22,29H,6,11-20H2,1H3,(H,30,33).

What are the key properties of 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide?

2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide has a molecular weight of 476.62 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 143057845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).