N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C23H31NO2 — CID 129376471

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 129376471) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• PubChem CID: 129376471
• Molecular Formula: C23H31NO2
• Molecular Weight: 353.51 g/mol
• Exact Mass: 353.24
• IUPAC Name: N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• SMILES: Cc1cc2occ(CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2cc1C(C)C
• InChI: InChI=1S/C23H31NO2/c1-13(2)19-11-21-18(12-26-22(21)7-14(19)3)10-23(25)24-15(4)20-9-16-5-6-17(20)8-16/h7,11-13,15-17,20H,5-6,8-10H2,1-4H3,(H,24,25)/t15-,16+,17+,20-/m1/s1
• InChIKey: PSGPBLAJFRQSBM-NHAYFPRASA-N
• XLogP: 5.35
• TPSA: 42.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	353.51
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 129376471) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2cc1C(C)C.

What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The InChIKey is PSGPBLAJFRQSBM-NHAYFPRASA-N. The full InChI is InChI=1S/C23H31NO2/c1-13(2)19-11-21-18(12-26-22(21)7-14(19)3)10-23(25)24-15(4)20-9-16-5-6-17(20)8-16/h7,11-13,15-17,20H,5-6,8-10H2,1-4H3,(H,24,25)/t15-,16+,17+,20-/m1/s1.

What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 353.51 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 129376471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).