N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide

C26H38N2O3 — CID 123668375

About N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide

N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide (PubChem CID 123668375) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide
• PubChem CID: 123668375
• Molecular Formula: C26H38N2O3
• Molecular Weight: 426.60 g/mol
• Exact Mass: 426.29
• IUPAC Name: N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide
• SMILES: COc1ccc2c(c1)C1(C)CCN(CC3CC3)C(C2)C(C)OCC(NC(=O)C2CC2)C1
• InChI: InChI=1S/C26H38N2O3/c1-17-24-12-20-8-9-22(30-3)13-23(20)26(2,10-11-28(24)15-18-4-5-18)14-21(16-31-17)27-25(29)19-6-7-19/h8-9,13,17-19,21,24H,4-7,10-12,14-16H2,1-3H3,(H,27,29)
• InChIKey: FWUJVCQWMDLDHA-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.60
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide?

The IUPAC name of N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide (CID 123668375) is N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide is COc1ccc2c(c1)C1(C)CCN(CC3CC3)C(C2)C(C)OCC(NC(=O)C2CC2)C1.

What is the InChIKey of N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide?

The InChIKey is FWUJVCQWMDLDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-17-24-12-20-8-9-22(30-3)13-23(20)26(2,10-11-28(24)15-18-4-5-18)14-21(16-31-17)27-25(29)19-6-7-19/h8-9,13,17-19,21,24H,4-7,10-12,14-16H2,1-3H3,(H,27,29).

What are the key properties of N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide?

N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide has a molecular weight of 426.60 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide is sourced from PubChem (CID 123668375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).