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

C29H30FN3O5Si — CID 174098336

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

(2S)-2-cyclopropyl-N-[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diaza-10-silahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]propanamide (PubChem CID 174098336) has the molecular formula C29H30FN3O5Si and a molecular weight of 547.66 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diaza-10-silahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-cyclopropyl-N-[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diaza-10-silahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]propanamide
• PubChem CID: 174098336
• Molecular Formula: C29H30FN3O5Si
• Molecular Weight: 547.66 g/mol
• Exact Mass: 547.19
• IUPAC Name: (2S)-2-cyclopropyl-N-[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diaza-10-silahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]propanamide
• SMILES: CC[Si@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@H](NC(=O)[C@@H](C)C1CC1)CC3
• InChI: InChI=1S/C29H30FN3O5Si/c1-4-39(37)23-10-22-26-17(11-33(22)28(35)18(23)12-38-29(39)36)25-20(32-27(34)13(2)15-5-6-15)8-7-16-14(3)19(30)9-21(31-26)24(16)25/h9-10,13,15,20,37H,4-8,11-12H2,1-3H3,(H,32,34)/t13-,20+,39-/m0/s1
• InChIKey: KWDCWLLPUBWBAI-WEGPWFQVSA-N
• XLogP: 3.42
• TPSA: 110.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.66
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S)-2-cyclopropyl-N-[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diaza-10-silahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]propanamide (CID 174098336) is (2S)-2-cyclopropyl-N-[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diaza-10-silahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]propanamide.

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

The canonical SMILES for (2S)-2-cyclopropyl-N-[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diaza-10-silahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]propanamide is CC[Si@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@H](NC(=O)[C@@H](C)C1CC1)CC3.

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

The InChIKey is KWDCWLLPUBWBAI-WEGPWFQVSA-N. The full InChI is InChI=1S/C29H30FN3O5Si/c1-4-39(37)23-10-22-26-17(11-33(22)28(35)18(23)12-38-29(39)36)25-20(32-27(34)13(2)15-5-6-15)8-7-16-14(3)19(30)9-21(31-26)24(16)25/h9-10,13,15,20,37H,4-8,11-12H2,1-3H3,(H,32,34)/t13-,20+,39-/m0/s1.

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

(2S)-2-cyclopropyl-N-[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diaza-10-silahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]propanamide has a molecular weight of 547.66 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-cyclopropyl-N-[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diaza-10-silahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]propanamide is sourced from PubChem (CID 174098336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).