2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide

C26H27FN4O6 — CID 170724292

About 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide

2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide (PubChem CID 170724292) has the molecular formula C26H27FN4O6 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide
• PubChem CID: 170724292
• Molecular Formula: C26H27FN4O6
• Molecular Weight: 510.52 g/mol
• Exact Mass: 510.19
• IUPAC Name: 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide
• SMILES: CCNCOCC(=O)NCc1c2c(nc3cc(F)c(C)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3OC
• InChI: InChI=1S/C26H27FN4O6/c1-4-28-12-36-11-22(32)29-8-16-14-5-13(2)19(27)7-20(14)30-23-17(16)9-31-21(23)6-15-18(25(31)33)10-37-26(34)24(15)35-3/h5-7,24,28H,4,8-12H2,1-3H3,(H,29,32)
• InChIKey: RVPYRZDHAGTFCI-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 120.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.52
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide?

The IUPAC name of 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide (CID 170724292) is 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide.

What is the SMILES notation for 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide?

The canonical SMILES for 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide is CCNCOCC(=O)NCc1c2c(nc3cc(F)c(C)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3OC.

What is the InChIKey of 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide?

The InChIKey is RVPYRZDHAGTFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O6/c1-4-28-12-36-11-22(32)29-8-16-14-5-13(2)19(27)7-20(14)30-23-17(16)9-31-21(23)6-15-18(25(31)33)10-37-26(34)24(15)35-3/h5-7,24,28H,4,8-12H2,1-3H3,(H,29,32).

What are the key properties of 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide?

2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide has a molecular weight of 510.52 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(ethylaminomethoxy)-N-[(6-fluoro-19-methoxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]acetamide is sourced from PubChem (CID 170724292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).