(5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate

C47H63NO8 — CID 3269044

About (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate (PubChem CID 3269044) has the molecular formula C47H63NO8 and a molecular weight of 770.02 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate.

Molecular Properties

• Compound Name: (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate
• PubChem CID: 3269044
• Molecular Formula: C47H63NO8
• Molecular Weight: 770.02 g/mol
• Exact Mass: 769.46
• IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate
• SMILES: COc1ccc(CN(CC2(O)CCC3C45C=CC6(C=C4C(=O)c4ccco4)CC(O)CCC6(C)C5CCC32C)C(=O)OC2CC(C)CCC2C(C)C)c(OC)c1
• InChI: InChI=1S/C47H63NO8/c1-29(2)34-13-10-30(3)23-38(34)56-42(51)48(27-31-11-12-33(53-6)24-37(31)54-7)28-46(52)19-16-40-44(46,5)18-15-39-43(4)17-14-32(49)25-45(43)20-21-47(39,40)35(26-45)41(50)36-9-8-22-55-36/h8-9,11-12,20-22,24,26,29-30,32,34,38-40,49,52H,10,13-19,23,25,27-28H2,1-7H3
• InChIKey: KRIJEONJUORGNR-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 118.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.02
LogP ≤ 5	9.17
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 (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate?

The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate (CID 3269044) is (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate.

What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate?

The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate is COc1ccc(CN(CC2(O)CCC3C45C=CC6(C=C4C(=O)c4ccco4)CC(O)CCC6(C)C5CCC32C)C(=O)OC2CC(C)CCC2C(C)C)c(OC)c1.

What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate?

The InChIKey is KRIJEONJUORGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H63NO8/c1-29(2)34-13-10-30(3)23-38(34)56-42(51)48(27-31-11-12-33(53-6)24-37(31)54-7)28-46(52)19-16-40-44(46,5)18-15-39-43(4)17-14-32(49)25-45(43)20-21-47(39,40)35(26-45)41(50)36-9-8-22-55-36/h8-9,11-12,20-22,24,26,29-30,32,34,38-40,49,52H,10,13-19,23,25,27-28H2,1-7H3.

What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate?

(5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate has a molecular weight of 770.02 g/mol, XLogP of 9.17, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-2-propan-2-ylcyclohexyl) N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate is sourced from PubChem (CID 3269044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).