N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide

C30H30FN3O6 — CID 166850127

About N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide

N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide (PubChem CID 166850127) has the molecular formula C30H30FN3O6 and a molecular weight of 547.58 g/mol. Its IUPAC name is N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide
• PubChem CID: 166850127
• Molecular Formula: C30H30FN3O6
• Molecular Weight: 547.58 g/mol
• Exact Mass: 547.21
• IUPAC Name: N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide
• SMILES: CCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)C1(O)CCC1)CC3
• InChI: InChI=1S/C30H30FN3O6/c1-3-7-30(39)18-10-22-25-16(12-34(22)26(35)17(18)13-40-28(30)37)24-20(33-27(36)29(38)8-4-9-29)6-5-15-14(2)19(31)11-21(32-25)23(15)24/h10-11,20,38-39H,3-9,12-13H2,1-2H3,(H,33,36)/t20-,30-/m0/s1
• InChIKey: HTNWFBMCWZIWBT-WRGVRERRSA-N
• XLogP: 2.94
• TPSA: 130.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.58
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide?

The IUPAC name of N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide (CID 166850127) is N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide.

What is the SMILES notation for N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide?

The canonical SMILES for N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide is CCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)C1(O)CCC1)CC3.

What is the InChIKey of N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide?

The InChIKey is HTNWFBMCWZIWBT-WRGVRERRSA-N. The full InChI is InChI=1S/C30H30FN3O6/c1-3-7-30(39)18-10-22-25-16(12-34(22)26(35)17(18)13-40-28(30)37)24-20(33-27(36)29(38)8-4-9-29)6-5-15-14(2)19(31)11-21(32-25)23(15)24/h10-11,20,38-39H,3-9,12-13H2,1-2H3,(H,33,36)/t20-,30-/m0/s1.

What are the key properties of N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide?

N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide has a molecular weight of 547.58 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(10S,23S)-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-10-propyl-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]-1-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 166850127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).