2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide

C22H33N3O2 — CID 131985508

About 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide

2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide (PubChem CID 131985508) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide
• PubChem CID: 131985508
• Molecular Formula: C22H33N3O2
• Molecular Weight: 371.53 g/mol
• Exact Mass: 371.26
• IUPAC Name: 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide
• SMILES: COc1ccc2c(c1)[C@]1(CCNC(=O)CN)CCN(CC3CC3)[C@H](C2)[C@@H]1C
• InChI: InChI=1S/C22H33N3O2/c1-15-20-11-17-5-6-18(27-2)12-19(17)22(15,7-9-24-21(26)13-23)8-10-25(20)14-16-3-4-16/h5-6,12,15-16,20H,3-4,7-11,13-14,23H2,1-2H3,(H,24,26)/t15-,20+,22+/m0/s1
• InChIKey: CXELPTGPBOXGDA-ZAOYMGCJSA-N
• XLogP: 2.07
• TPSA: 67.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.53
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide?

The IUPAC name of 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide (CID 131985508) is 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide?

The canonical SMILES for 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide is COc1ccc2c(c1)[C@]1(CCNC(=O)CN)CCN(CC3CC3)[C@H](C2)[C@@H]1C.

What is the InChIKey of 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide?

The InChIKey is CXELPTGPBOXGDA-ZAOYMGCJSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-15-20-11-17-5-6-18(27-2)12-19(17)22(15,7-9-24-21(26)13-23)8-10-25(20)14-16-3-4-16/h5-6,12,15-16,20H,3-4,7-11,13-14,23H2,1-2H3,(H,24,26)/t15-,20+,22+/m0/s1.

What are the key properties of 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide?

2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide has a molecular weight of 371.53 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide is sourced from PubChem (CID 131985508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).