N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide

C23H31N3O5 — CID 110213109

About N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide

N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide (PubChem CID 110213109) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide
• PubChem CID: 110213109
• Molecular Formula: C23H31N3O5
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.23
• IUPAC Name: N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide
• SMILES: COc1ccc2c(c1)OC1(CCC(=O)N(CC(=O)NC3CCCCC3)CC1)CNC2=O
• InChI: InChI=1S/C23H31N3O5/c1-30-17-7-8-18-19(13-17)31-23(15-24-22(18)29)10-9-21(28)26(12-11-23)14-20(27)25-16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14-15H2,1H3,(H,24,29)(H,25,27)
• InChIKey: ARGPZKCHBPEMAE-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide?

The IUPAC name of N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide (CID 110213109) is N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide.

What is the SMILES notation for N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide?

The canonical SMILES for N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide is COc1ccc2c(c1)OC1(CCC(=O)N(CC(=O)NC3CCCCC3)CC1)CNC2=O.

What is the InChIKey of N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide?

The InChIKey is ARGPZKCHBPEMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-30-17-7-8-18-19(13-17)31-23(15-24-22(18)29)10-9-21(28)26(12-11-23)14-20(27)25-16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14-15H2,1H3,(H,24,29)(H,25,27).

What are the key properties of N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide?

N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide has a molecular weight of 429.52 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide is sourced from PubChem (CID 110213109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).