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

C33H38N2O2 — CID 58443225

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

10-(cyclopropylmethyl)-N-[2-[4-(4-hydroxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (PubChem CID 58443225) has the molecular formula C33H38N2O2 and a molecular weight of 494.68 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-N-[2-[4-(4-hydroxyphenyl)phenyl]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-[4-(4-hydroxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
• PubChem CID: 58443225
• Molecular Formula: C33H38N2O2
• Molecular Weight: 494.68 g/mol
• Exact Mass: 494.29
• IUPAC Name: 10-(cyclopropylmethyl)-N-[2-[4-(4-hydroxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
• SMILES: CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)cc5)cc4)cc3C1(C)CCN2CC1CC1
• InChI: InChI=1S/C33H38N2O2/c1-22-31-20-27-9-10-28(19-30(27)33(22,2)16-18-35(31)21-24-3-4-24)32(37)34-17-15-23-5-7-25(8-6-23)26-11-13-29(36)14-12-26/h5-14,19,22,24,31,36H,3-4,15-18,20-21H2,1-2H3,(H,34,37)
• InChIKey: FTRDSYLIWZRYMR-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.68
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-N-[2-[4-(4-hydroxyphenyl)phenyl]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-[4-(4-hydroxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (CID 58443225) is 10-(cyclopropylmethyl)-N-[2-[4-(4-hydroxyphenyl)phenyl]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-[4-(4-hydroxyphenyl)phenyl]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-[4-(4-hydroxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)cc5)cc4)cc3C1(C)CCN2CC1CC1.

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

The InChIKey is FTRDSYLIWZRYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O2/c1-22-31-20-27-9-10-28(19-30(27)33(22,2)16-18-35(31)21-24-3-4-24)32(37)34-17-15-23-5-7-25(8-6-23)26-11-13-29(36)14-12-26/h5-14,19,22,24,31,36H,3-4,15-18,20-21H2,1-2H3,(H,34,37).

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

10-(cyclopropylmethyl)-N-[2-[4-(4-hydroxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide has a molecular weight of 494.68 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(cyclopropylmethyl)-N-[2-[4-(4-hydroxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 58443225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).