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

C22H30N2O3 — CID 155498490

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

3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide (PubChem CID 155498490) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
• PubChem CID: 155498490
• Molecular Formula: C22H30N2O3
• Molecular Weight: 370.49 g/mol
• Exact Mass: 370.23
• IUPAC Name: 3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
• SMILES: Cc1ccccc1C(=O)N1C[C@@H]2[C@H](CNC(=O)CC(C)C)[C@H]3CC[C@]2(C1)O3
• InChI: InChI=1S/C22H30N2O3/c1-14(2)10-20(25)23-11-17-18-12-24(13-22(18)9-8-19(17)27-22)21(26)16-7-5-4-6-15(16)3/h4-7,14,17-19H,8-13H2,1-3H3,(H,23,25)/t17-,18+,19+,22+/m0/s1
• InChIKey: WVYSCSHNXFONSX-JZJXAQOMSA-N
• XLogP: 2.78
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.49
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide (CID 155498490) is 3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide.

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

The canonical SMILES for 3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide is Cc1ccccc1C(=O)N1C[C@@H]2[C@H](CNC(=O)CC(C)C)[C@H]3CC[C@]2(C1)O3.

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

The InChIKey is WVYSCSHNXFONSX-JZJXAQOMSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-14(2)10-20(25)23-11-17-18-12-24(13-22(18)9-8-19(17)27-22)21(26)16-7-5-4-6-15(16)3/h4-7,14,17-19H,8-13H2,1-3H3,(H,23,25)/t17-,18+,19+,22+/m0/s1.

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

3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide has a molecular weight of 370.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide is sourced from PubChem (CID 155498490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).