(10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene

C30H49NO — CID 58793767

About (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene

(10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene (PubChem CID 58793767) has the molecular formula C30H49NO and a molecular weight of 439.73 g/mol. Its IUPAC name is (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene.

Molecular Properties

• Compound Name: (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene
• PubChem CID: 58793767
• Molecular Formula: C30H49NO
• Molecular Weight: 439.73 g/mol
• Exact Mass: 439.38
• IUPAC Name: (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene
• SMILES: CC(C)OC1CC[C@@]2(C)C(=CCC3C4CC5C(C(C)C6CC[C@H](C)CN65)[C@@]4(C)CCC32)C1
• InChI: InChI=1S/C30H49NO/c1-18(2)32-22-11-13-29(5)21(15-22)8-9-23-24(29)12-14-30(6)25(23)16-27-28(30)20(4)26-10-7-19(3)17-31(26)27/h8,18-20,22-28H,7,9-17H2,1-6H3/t19-,20?,22?,23?,24?,25?,26?,27?,28?,29-,30-/m0/s1
• InChIKey: HXODLJZLMUWIIO-MOXPFRGISA-N
• XLogP: 7.09
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.73
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene?

The IUPAC name of (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene (CID 58793767) is (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene.

What is the SMILES notation for (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene?

The canonical SMILES for (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene is CC(C)OC1CC[C@@]2(C)C(=CCC3C4CC5C(C(C)C6CC[C@H](C)CN65)[C@@]4(C)CCC32)C1.

What is the InChIKey of (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene?

The InChIKey is HXODLJZLMUWIIO-MOXPFRGISA-N. The full InChI is InChI=1S/C30H49NO/c1-18(2)32-22-11-13-29(5)21(15-22)8-9-23-24(29)12-14-30(6)25(23)16-27-28(30)20(4)26-10-7-19(3)17-31(26)27/h8,18-20,22-28H,7,9-17H2,1-6H3/t19-,20?,22?,23?,24?,25?,26?,27?,28?,29-,30-/m0/s1.

What are the key properties of (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene?

(10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene has a molecular weight of 439.73 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (10R,14S,16S,20S)-10,14,16,20-tetramethyl-7-propan-2-yloxy-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene is sourced from PubChem (CID 58793767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).