2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide

C19H26N2O2 — CID 155501317

About 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide

2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide (PubChem CID 155501317) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
• PubChem CID: 155501317
• Molecular Formula: C19H26N2O2
• Molecular Weight: 314.43 g/mol
• Exact Mass: 314.20
• IUPAC Name: 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
• SMILES: CCc1ccccc1C(=O)NC[C@H]1[C@H]2CN(C)C[C@]23CC[C@H]1O3
• InChI: InChI=1S/C19H26N2O2/c1-3-13-6-4-5-7-14(13)18(22)20-10-15-16-11-21(2)12-19(16)9-8-17(15)23-19/h4-7,15-17H,3,8-12H2,1-2H3,(H,20,22)/t15-,16+,17+,19+/m0/s1
• InChIKey: XUONVTANGKYJAZ-DODZYUBVSA-N
• XLogP: 2.09
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.43
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?

The IUPAC name of 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide (CID 155501317) is 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide.

What is the SMILES notation for 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?

The canonical SMILES for 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide is CCc1ccccc1C(=O)NC[C@H]1[C@H]2CN(C)C[C@]23CC[C@H]1O3.

What is the InChIKey of 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?

The InChIKey is XUONVTANGKYJAZ-DODZYUBVSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-13-6-4-5-7-14(13)18(22)20-10-15-16-11-21(2)12-19(16)9-8-17(15)23-19/h4-7,15-17H,3,8-12H2,1-2H3,(H,20,22)/t15-,16+,17+,19+/m0/s1.

What are the key properties of 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?

2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide has a molecular weight of 314.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide is sourced from PubChem (CID 155501317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).