(1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane

C61H74N2O6 — CID 159742309

About (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane

(1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane (PubChem CID 159742309) has the molecular formula C61H74N2O6 and a molecular weight of 931.27 g/mol. Its IUPAC name is (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane.

Molecular Properties

• Compound Name: (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane
• PubChem CID: 159742309
• Molecular Formula: C61H74N2O6
• Molecular Weight: 931.27 g/mol
• Exact Mass: 930.55
• IUPAC Name: (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane
• SMILES: C.C.Cc1ccc2c3c1O[C@H]1[C@@]4(O)C=C[C@@]5(C[C@@H]4[C@](C)(O)Cc4ccccc4)[C@@H](C2)N(C)CC[C@]315.Cc1ccc2c3c1O[C@H]1[C@@]45C=C[C@@]6(C[C@@H]4[C@@](C)(Cc4ccccc4)OCO5)[C@@H](C2)N(C)CC[C@]316
• InChI: InChI=1S/C30H33NO3.C29H33NO3.2CH4/c1-19-9-10-21-15-23-28-11-12-30(26-29(28,13-14-31(23)3)24(21)25(19)34-26)22(17-28)27(2,32-18-33-30)16-20-7-5-4-6-8-20;1-18-9-10-20-15-22-27-11-12-29(32,21(17-27)26(2,31)16-19-7-5-4-6-8-19)25-28(27,13-14-30(22)3)23(20)24(18)33-25;;/h4-12,22-23,26H,13-18H2,1-3H3;4-12,21-22,25,31-32H,13-17H2,1-3H3;2*1H4/t22-,23-,26-,27-,28-,29+,30-;21-,22-,25-,26-,27-,28+,29-;;/m11../s1
• InChIKey: NCPPZFLPCVFDTN-NKFJDIHSSA-N
• XLogP: 9.40
• TPSA: 83.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.27
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane?

The IUPAC name of (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane (CID 159742309) is (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane.

What is the SMILES notation for (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane?

The canonical SMILES for (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane is C.C.Cc1ccc2c3c1O[C@H]1[C@@]4(O)C=C[C@@]5(C[C@@H]4[C@](C)(O)Cc4ccccc4)[C@@H](C2)N(C)CC[C@]315.Cc1ccc2c3c1O[C@H]1[C@@]45C=C[C@@]6(C[C@@H]4[C@@](C)(Cc4ccccc4)OCO5)[C@@H](C2)N(C)CC[C@]316.

What is the InChIKey of (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane?

The InChIKey is NCPPZFLPCVFDTN-NKFJDIHSSA-N. The full InChI is InChI=1S/C30H33NO3.C29H33NO3.2CH4/c1-19-9-10-21-15-23-28-11-12-30(26-29(28,13-14-31(23)3)24(21)25(19)34-26)22(17-28)27(2,32-18-33-30)16-20-7-5-4-6-8-20;1-18-9-10-20-15-22-27-11-12-29(32,21(17-27)26(2,31)16-19-7-5-4-6-8-19)25-28(27,13-14-30(22)3)23(20)24(18)33-25;;/h4-12,22-23,26H,13-18H2,1-3H3;4-12,21-22,25,31-32H,13-17H2,1-3H3;2*1H4/t22-,23-,26-,27-,28-,29+,30-;21-,22-,25-,26-,27-,28+,29-;;/m11../s1.

What are the key properties of (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane?

(1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane has a molecular weight of 931.27 g/mol, XLogP of 9.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,6R,14R,15R,19R,20R)-19-benzyl-5,11,19-trimethyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11,22-tetraene;(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-5,11-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol;methane is sourced from PubChem (CID 159742309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).