N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide

C30H32FN3O6 — CID 170975464

About N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide

N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide (PubChem CID 170975464) has the molecular formula C30H32FN3O6 and a molecular weight of 549.60 g/mol. Its IUPAC name is N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

• Compound Name: N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide
• PubChem CID: 170975464
• Molecular Formula: C30H32FN3O6
• Molecular Weight: 549.60 g/mol
• Exact Mass: 549.23
• IUPAC Name: N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide
• SMILES: CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)C(C)(C)CCO)CC3
• InChI: InChI=1S/C30H32FN3O6/c1-5-30(39)18-10-22-25-16(12-34(22)26(36)17(18)13-40-28(30)38)24-20(33-27(37)29(3,4)8-9-35)7-6-15-14(2)19(31)11-21(32-25)23(15)24/h10-11,20,35,39H,5-9,12-13H2,1-4H3,(H,33,37)
• InChIKey: YBBSRDFFTMVACJ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 130.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.60
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide?

The IUPAC name of N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide (CID 170975464) is N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide.

What is the SMILES notation for N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide?

The canonical SMILES for N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide is CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)C(C)(C)CCO)CC3.

What is the InChIKey of N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide?

The InChIKey is YBBSRDFFTMVACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O6/c1-5-30(39)18-10-22-25-16(12-34(22)26(36)17(18)13-40-28(30)38)24-20(33-27(37)29(3,4)8-9-35)7-6-15-14(2)19(31)11-21(32-25)23(15)24/h10-11,20,35,39H,5-9,12-13H2,1-4H3,(H,33,37).

What are the key properties of N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide?

N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide has a molecular weight of 549.60 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-4-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 170975464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).