N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide

C30H36FN3O6Si — CID 174012267

About N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide

N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide (PubChem CID 174012267) has the molecular formula C30H36FN3O6Si and a molecular weight of 581.72 g/mol. Its IUPAC name is N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide.

Molecular Properties

• Compound Name: N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide
• PubChem CID: 174012267
• Molecular Formula: C30H36FN3O6Si
• Molecular Weight: 581.72 g/mol
• Exact Mass: 581.24
• IUPAC Name: N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide
• SMILES: CC[C@]1(O)c2cc3n(c(=O)c2COC1O)Cc1c-3nc2cc(F)c(C)c3c2c1[C@@H](NC(=O)CCC[Si](C)(C)O)CC3
• InChI: InChI=1S/C30H36FN3O6Si/c1-5-30(38)19-11-23-27-17(13-34(23)28(36)18(19)14-40-29(30)37)26-21(32-24(35)7-6-10-41(3,4)39)9-8-16-15(2)20(31)12-22(33-27)25(16)26/h11-12,21,29,37-39H,5-10,13-14H2,1-4H3,(H,32,35)/t21-,29?,30-/m0/s1
• InChIKey: NBQSQLPDMMSHJZ-XJEOLIISSA-N
• XLogP: 3.40
• TPSA: 133.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.72
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide?

The IUPAC name of N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide (CID 174012267) is N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide.

What is the SMILES notation for N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide?

The canonical SMILES for N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide is CC[C@]1(O)c2cc3n(c(=O)c2COC1O)Cc1c-3nc2cc(F)c(C)c3c2c1[C@@H](NC(=O)CCC[Si](C)(C)O)CC3.

What is the InChIKey of N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide?

The InChIKey is NBQSQLPDMMSHJZ-XJEOLIISSA-N. The full InChI is InChI=1S/C30H36FN3O6Si/c1-5-30(38)19-11-23-27-17(13-34(23)28(36)18(19)14-40-29(30)37)26-21(32-24(35)7-6-10-41(3,4)39)9-8-16-15(2)20(31)12-22(33-27)25(16)26/h11-12,21,29,37-39H,5-10,13-14H2,1-4H3,(H,32,35)/t21-,29?,30-/m0/s1.

What are the key properties of N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide?

N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide has a molecular weight of 581.72 g/mol, XLogP of 3.40, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(10S,23S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-5-oxo-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(dimethyl)silyl]butanamide is sourced from PubChem (CID 174012267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).