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)-2,3-dihydroxy-2-methylpropanamide

C28H28FN3O7 — CID 170975395

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)-2,3-dihydroxy-2-methylpropanamide

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)-2,3-dihydroxy-2-methylpropanamide (PubChem CID 170975395) has the molecular formula C28H28FN3O7 and a molecular weight of 537.54 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)-2,3-dihydroxy-2-methylpropanamide.

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)-2,3-dihydroxy-2-methylpropanamide
• PubChem CID: 170975395
• Molecular Formula: C28H28FN3O7
• Molecular Weight: 537.54 g/mol
• Exact Mass: 537.19
• 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)-2,3-dihydroxy-2-methylpropanamide
• SMILES: CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)C(C)(O)CO)CC3
• InChI: InChI=1S/C28H28FN3O7/c1-4-28(38)16-7-20-23-14(9-32(20)24(34)15(16)10-39-26(28)36)22-18(31-25(35)27(3,37)11-33)6-5-13-12(2)17(29)8-19(30-23)21(13)22/h7-8,18,33,37-38H,4-6,9-11H2,1-3H3,(H,31,35)
• InChIKey: KYBYQJYREWOAPC-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 150.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.54
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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)-2,3-dihydroxy-2-methylpropanamide?

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)-2,3-dihydroxy-2-methylpropanamide (CID 170975395) 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)-2,3-dihydroxy-2-methylpropanamide.

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)-2,3-dihydroxy-2-methylpropanamide?

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)-2,3-dihydroxy-2-methylpropanamide is CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)C(C)(O)CO)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)-2,3-dihydroxy-2-methylpropanamide?

The InChIKey is KYBYQJYREWOAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O7/c1-4-28(38)16-7-20-23-14(9-32(20)24(34)15(16)10-39-26(28)36)22-18(31-25(35)27(3,37)11-33)6-5-13-12(2)17(29)8-19(30-23)21(13)22/h7-8,18,33,37-38H,4-6,9-11H2,1-3H3,(H,31,35).

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)-2,3-dihydroxy-2-methylpropanamide?

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)-2,3-dihydroxy-2-methylpropanamide has a molecular weight of 537.54 g/mol, XLogP of 1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 9 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)-2,3-dihydroxy-2-methylpropanamide is sourced from PubChem (CID 170975395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).