2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide

C24H34N4O6 — CID 122165223

About 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide

2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide (PubChem CID 122165223) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide
• PubChem CID: 122165223
• Molecular Formula: C24H34N4O6
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.25
• IUPAC Name: 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide
• SMILES: COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C)C[C@H]3C(=O)NC[C@H]1O2
• InChI: InChI=1S/C24H34N4O6/c1-27-10-11-28-19(14-27)23(30)25-13-21-18(26-22(29)15-32-2)8-7-16(34-21)9-12-33-20-6-4-3-5-17(20)24(28)31/h3-6,16,18-19,21H,7-15H2,1-2H3,(H,25,30)(H,26,29)/t16-,18+,19-,21+/m0/s1
• InChIKey: DHJIOFPXRHFIDX-GZMOKQHVSA-N
• XLogP: 0.02
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	0.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide?

The IUPAC name of 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide (CID 122165223) is 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide.

What is the SMILES notation for 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide?

The canonical SMILES for 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide is COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C)C[C@H]3C(=O)NC[C@H]1O2.

What is the InChIKey of 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide?

The InChIKey is DHJIOFPXRHFIDX-GZMOKQHVSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-27-10-11-28-19(14-27)23(30)25-13-21-18(26-22(29)15-32-2)8-7-16(34-21)9-12-33-20-6-4-3-5-17(20)24(28)31/h3-6,16,18-19,21H,7-15H2,1-2H3,(H,25,30)(H,26,29)/t16-,18+,19-,21+/m0/s1.

What are the key properties of 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide?

2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide has a molecular weight of 474.56 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide is sourced from PubChem (CID 122165223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).