10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

C32H38N2O2 — CID 71450766

About 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (PubChem CID 71450766) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

• Compound Name: 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
• PubChem CID: 71450766
• Molecular Formula: C32H38N2O2
• Molecular Weight: 482.67 g/mol
• Exact Mass: 482.29
• IUPAC Name: 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
• SMILES: COc1ccc2cc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)ccc2c1
• InChI: InChI=1S/C32H38N2O2/c1-21-30-19-26-8-9-27(18-29(26)32(21,2)13-15-34(30)20-23-4-5-23)31(35)33-14-12-22-6-7-25-17-28(36-3)11-10-24(25)16-22/h6-11,16-18,21,23,30H,4-5,12-15,19-20H2,1-3H3,(H,33,35)
• InChIKey: YIYFILGSLZRBRB-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.67
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?

The IUPAC name of 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (CID 71450766) is 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.

What is the SMILES notation for 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?

The canonical SMILES for 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is COc1ccc2cc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)ccc2c1.

What is the InChIKey of 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?

The InChIKey is YIYFILGSLZRBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-21-30-19-26-8-9-27(18-29(26)32(21,2)13-15-34(30)20-23-4-5-23)31(35)33-14-12-22-6-7-25-17-28(36-3)11-10-24(25)16-22/h6-11,16-18,21,23,30H,4-5,12-15,19-20H2,1-3H3,(H,33,35).

What are the key properties of 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?

10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide has a molecular weight of 482.67 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(cyclopropylmethyl)-N-[2-(6-methoxynaphthalen-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 71450766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).