2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

C25H28N2O3 — CID 9054230

About 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 9054230) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
• PubChem CID: 9054230
• Molecular Formula: C25H28N2O3
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.21
• IUPAC Name: 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
• SMILES: COc1ccc2cc(CN(C)CC(=O)N[C@@H](Cc3ccccc3)C(C)=O)ccc2c1
• InChI: InChI=1S/C25H28N2O3/c1-18(28)24(14-19-7-5-4-6-8-19)26-25(29)17-27(2)16-20-9-10-22-15-23(30-3)12-11-21(22)13-20/h4-13,15,24H,14,16-17H2,1-3H3,(H,26,29)/t24-/m0/s1
• InChIKey: ZJWDQICLGJJYHU-DEOSSOPVSA-N
• XLogP: 3.60
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?

The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 9054230) is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.

What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?

The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is COc1ccc2cc(CN(C)CC(=O)N[C@@H](Cc3ccccc3)C(C)=O)ccc2c1.

What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?

The InChIKey is ZJWDQICLGJJYHU-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-18(28)24(14-19-7-5-4-6-8-19)26-25(29)17-27(2)16-20-9-10-22-15-23(30-3)12-11-21(22)13-20/h4-13,15,24H,14,16-17H2,1-3H3,(H,26,29)/t24-/m0/s1.

What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 9054230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).