naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate

C47H51NO8 — CID 5060561

About naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate

naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate (PubChem CID 5060561) has the molecular formula C47H51NO8 and a molecular weight of 757.92 g/mol. Its IUPAC name is naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate.

Molecular Properties

• Compound Name: naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate
• PubChem CID: 5060561
• Molecular Formula: C47H51NO8
• Molecular Weight: 757.92 g/mol
• Exact Mass: 757.36
• IUPAC Name: naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate
• SMILES: COc1ccc(CN(CC2(O)CCC3c4ccc(cc4C(=O)c4ccco4)CC(O)CCC(C)=CCCC32C)C(=O)Oc2ccc3ccccc3c2)c(OC)c1
• InChI: InChI=1S/C47H51NO8/c1-31-9-7-22-46(2)41(39-20-14-32(25-36(49)17-13-31)26-40(39)44(50)42-12-8-24-55-42)21-23-47(46,52)30-48(29-35-16-18-37(53-3)28-43(35)54-4)45(51)56-38-19-15-33-10-5-6-11-34(33)27-38/h5-6,8-12,14-16,18-20,24,26-28,36,41,49,52H,7,13,17,21-23,25,29-30H2,1-4H3
• InChIKey: BMKNETSJDURISQ-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 118.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.92
LogP ≤ 5	9.42
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 naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate?

The IUPAC name of naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate (CID 5060561) is naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate.

What is the SMILES notation for naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate?

The canonical SMILES for naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate is COc1ccc(CN(CC2(O)CCC3c4ccc(cc4C(=O)c4ccco4)CC(O)CCC(C)=CCCC32C)C(=O)Oc2ccc3ccccc3c2)c(OC)c1.

What is the InChIKey of naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate?

The InChIKey is BMKNETSJDURISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51NO8/c1-31-9-7-22-46(2)41(39-20-14-32(25-36(49)17-13-31)26-40(39)44(50)42-12-8-24-55-42)21-23-47(46,52)30-48(29-35-16-18-37(53-3)28-43(35)54-4)45(51)56-38-19-15-33-10-5-6-11-34(33)27-38/h5-6,8-12,14-16,18-20,24,26-28,36,41,49,52H,7,13,17,21-23,25,29-30H2,1-4H3.

What are the key properties of naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate?

naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate has a molecular weight of 757.92 g/mol, XLogP of 9.42, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for naphthalen-2-yl N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]methyl]carbamate is sourced from PubChem (CID 5060561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).