(24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate

C34H41FN4O7 — CID 135495297

About (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate

(24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate (PubChem CID 135495297) has the molecular formula C34H41FN4O7 and a molecular weight of 636.72 g/mol. Its IUPAC name is (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate.

Molecular Properties

• Compound Name: (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate
• PubChem CID: 135495297
• Molecular Formula: C34H41FN4O7
• Molecular Weight: 636.72 g/mol
• Exact Mass: 636.30
• IUPAC Name: (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate
• SMILES: COC1C=CC=C(C)C(=O)Nc2cc3nc4cc(F)ccc4nc3c(c2O)CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O
• InChI: InChI=1S/C34H41FN4O7/c1-17-12-22-29-25(37-24-15-21(35)10-11-23(24)38-29)16-26(31(22)41)39-33(42)18(2)8-7-9-27(44-5)32(46-34(36)43)20(4)14-19(3)30(40)28(13-17)45-6/h7-11,14-17,19,27-28,30,32,40-41H,12-13H2,1-6H3,(H2,36,43)(H,39,42)
• InChIKey: LLMJTBVATBUVHQ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 166.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.72
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate?

The IUPAC name of (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate (CID 135495297) is (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate.

What is the SMILES notation for (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate?

The canonical SMILES for (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate is COC1C=CC=C(C)C(=O)Nc2cc3nc4cc(F)ccc4nc3c(c2O)CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O.

What is the InChIKey of (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate?

The InChIKey is LLMJTBVATBUVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41FN4O7/c1-17-12-22-29-25(37-24-15-21(35)10-11-23(24)38-29)16-26(31(22)41)39-33(42)18(2)8-7-9-27(44-5)32(46-34(36)43)20(4)14-19(3)30(40)28(13-17)45-6/h7-11,14-17,19,27-28,30,32,40-41H,12-13H2,1-6H3,(H2,36,43)(H,39,42).

What are the key properties of (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate?

(24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate has a molecular weight of 636.72 g/mol, XLogP of 5.09, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (24-fluoro-13,30-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2,20,27-triazatetracyclo[16.11.1.019,28.021,26]triaconta-1(30),4,6,10,18,20,22,24,26,28-decaen-9-yl) carbamate is sourced from PubChem (CID 135495297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).