7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane

C35H41NO — CID 134506329

About 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane

7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane (PubChem CID 134506329) has the molecular formula C35H41NO and a molecular weight of 491.72 g/mol. Its IUPAC name is 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane
• PubChem CID: 134506329
• Molecular Formula: C35H41NO
• Molecular Weight: 491.72 g/mol
• Exact Mass: 491.32
• IUPAC Name: 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane
• SMILES: C[C@]12CC=C3C=C4CC[C@@H](N5C6CCC5CC6)C[C@]45CCC3(O5)[C@@H]1CCC2c1ccc2ccccc2c1
• InChI: InChI=1S/C35H41NO/c1-33-17-16-27-21-26-8-9-30(36-28-10-11-29(36)13-12-28)22-34(26)18-19-35(27,37-34)32(33)15-14-31(33)25-7-6-23-4-2-3-5-24(23)20-25/h2-7,16,20-21,28-32H,8-15,17-19,22H2,1H3/t28?,29?,30-,31?,32-,33-,34-,35?/m1/s1
• InChIKey: PTGHOUMBXGQSSS-IRZFZJMFSA-N
• XLogP: 8.08
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.72
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane?

The IUPAC name of 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane (CID 134506329) is 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane.

What is the SMILES notation for 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane?

The canonical SMILES for 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane is C[C@]12CC=C3C=C4CC[C@@H](N5C6CCC5CC6)C[C@]45CCC3(O5)[C@@H]1CCC2c1ccc2ccccc2c1.

What is the InChIKey of 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane?

The InChIKey is PTGHOUMBXGQSSS-IRZFZJMFSA-N. The full InChI is InChI=1S/C35H41NO/c1-33-17-16-27-21-26-8-9-30(36-28-10-11-29(36)13-12-28)22-34(26)18-19-35(27,37-34)32(33)15-14-31(33)25-7-6-23-4-2-3-5-24(23)20-25/h2-7,16,20-21,28-32H,8-15,17-19,22H2,1H3/t28?,29?,30-,31?,32-,33-,34-,35?/m1/s1.

What are the key properties of 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane?

7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 491.72 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 134506329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).