N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide

C21H29N3O3 — CID 134804738

About N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide (PubChem CID 134804738) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
• PubChem CID: 134804738
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
• SMILES: COc1ccccc1CNC(=O)CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2
• InChI: InChI=1S/C21H29N3O3/c1-27-19-7-3-2-5-16(19)10-22-20(25)14-23-11-15-9-17(13-23)18-6-4-8-21(26)24(18)12-15/h2-3,5,7,15,17-18H,4,6,8-14H2,1H3,(H,22,25)/t15?,17?,18-/m1/s1
• InChIKey: SFFPIGCIBBQYOJ-VMWRSERWSA-N
• XLogP: 1.64
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide (CID 134804738) is N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide is COc1ccccc1CNC(=O)CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?

The InChIKey is SFFPIGCIBBQYOJ-VMWRSERWSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-27-19-7-3-2-5-16(19)10-22-20(25)14-23-11-15-9-17(13-23)18-6-4-8-21(26)24(18)12-15/h2-3,5,7,15,17-18H,4,6,8-14H2,1H3,(H,22,25)/t15?,17?,18-/m1/s1.

What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?

N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide is sourced from PubChem (CID 134804738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).