naphthalen-2-yl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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

C48H57NO6 — CID 6727774

About naphthalen-2-yl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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 6727774) has the molecular formula C48H57NO6 and a molecular weight of 743.99 g/mol. Its IUPAC name is naphthalen-2-yl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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: 6727774
• Molecular Formula: C48H57NO6
• Molecular Weight: 743.99 g/mol
• Exact Mass: 743.42
• IUPAC Name: naphthalen-2-yl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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: CC1=CCC[C@@]2(C)[C@@H](CC[C@@]2(O)CN(C[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)C(=O)Oc2ccc3ccccc3c2)c2ccc(cc2C(=O)c2ccco2)C[C@@H](O)CC1
• InChI: InChI=1S/C48H57NO6/c1-31-9-7-22-47(4)41(39-20-14-32(25-37(50)18-13-31)26-40(39)44(51)43-12-8-24-54-43)21-23-48(47,53)30-49(29-35-15-17-36-28-42(35)46(36,2)3)45(52)55-38-19-16-33-10-5-6-11-34(33)27-38/h5-6,8-12,14,16,19-20,24,26-27,35-37,41-42,50,53H,7,13,15,17-18,21-23,25,28-30H2,1-4H3/t35-,36-,37-,41-,42-,47-,48+/m0/s1
• InChIKey: LJGQWCZCJHYQPW-RMXVRPFXSA-N
• XLogP: 10.28
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.99
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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 6727774) is naphthalen-2-yl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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 CC1=CCC[C@@]2(C)[C@@H](CC[C@@]2(O)CN(C[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)C(=O)Oc2ccc3ccccc3c2)c2ccc(cc2C(=O)c2ccco2)C[C@@H](O)CC1.

What is the InChIKey of naphthalen-2-yl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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 LJGQWCZCJHYQPW-RMXVRPFXSA-N. The full InChI is InChI=1S/C48H57NO6/c1-31-9-7-22-47(4)41(39-20-14-32(25-37(50)18-13-31)26-40(39)44(51)43-12-8-24-54-43)21-23-48(47,53)30-49(29-35-15-17-36-28-42(35)46(36,2)3)45(52)55-38-19-16-33-10-5-6-11-34(33)27-38/h5-6,8-12,14,16,19-20,24,26-27,35-37,41-42,50,53H,7,13,15,17-18,21-23,25,28-30H2,1-4H3/t35-,36-,37-,41-,42-,47-,48+/m0/s1.

What are the key properties of naphthalen-2-yl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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 743.99 g/mol, XLogP of 10.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for naphthalen-2-yl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[[(2S,5S,6S,13S)-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 6727774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).