N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide

C32H33FN6O7 — CID 177087381

About N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide

N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide (PubChem CID 177087381) has the molecular formula C32H33FN6O7 and a molecular weight of 632.65 g/mol. Its IUPAC name is N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide.

Molecular Properties

• Compound Name: N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide
• PubChem CID: 177087381
• Molecular Formula: C32H33FN6O7
• Molecular Weight: 632.65 g/mol
• Exact Mass: 632.24
• IUPAC Name: N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCOCc1cn(CCO)nn1)CC3
• InChI: InChI=1S/C32H33FN6O7/c1-3-32(44)21-10-25-29-19(13-39(25)30(42)20(21)15-46-31(32)43)28-23(5-4-18-16(2)22(33)11-24(35-29)27(18)28)34-26(41)6-9-45-14-17-12-38(7-8-40)37-36-17/h10-12,23,40,44H,3-9,13-15H2,1-2H3,(H,34,41)/t23-,32-/m0/s1
• InChIKey: JHCBRFCMTDZFCO-UDNBHOFDSA-N
• XLogP: 1.82
• TPSA: 170.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.65
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide?

The IUPAC name of N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide (CID 177087381) is N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide.

What is the SMILES notation for N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide?

The canonical SMILES for N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCOCc1cn(CCO)nn1)CC3.

What is the InChIKey of N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide?

The InChIKey is JHCBRFCMTDZFCO-UDNBHOFDSA-N. The full InChI is InChI=1S/C32H33FN6O7/c1-3-32(44)21-10-25-29-19(13-39(25)30(42)20(21)15-46-31(32)43)28-23(5-4-18-16(2)22(33)11-24(35-29)27(18)28)34-26(41)6-9-45-14-17-12-38(7-8-40)37-36-17/h10-12,23,40,44H,3-9,13-15H2,1-2H3,(H,34,41)/t23-,32-/m0/s1.

What are the key properties of N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide?

N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide has a molecular weight of 632.65 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(10S,23S)-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]-3-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]propanamide is sourced from PubChem (CID 177087381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).