2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide

C21H30N2O2 — CID 131663415

About 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide

2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide (PubChem CID 131663415) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide
• PubChem CID: 131663415
• Molecular Formula: C21H30N2O2
• Molecular Weight: 342.48 g/mol
• Exact Mass: 342.23
• IUPAC Name: 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide
• SMILES: Cc1ccccc1CN1CC2(C1)OCCC2CCNC(=O)CC1CC1
• InChI: InChI=1S/C21H30N2O2/c1-16-4-2-3-5-18(16)13-23-14-21(15-23)19(9-11-25-21)8-10-22-20(24)12-17-6-7-17/h2-5,17,19H,6-15H2,1H3,(H,22,24)
• InChIKey: UWSMHYHRNYLDJA-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.48
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide?

The IUPAC name of 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide (CID 131663415) is 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide.

What is the SMILES notation for 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide?

The canonical SMILES for 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide is Cc1ccccc1CN1CC2(C1)OCCC2CCNC(=O)CC1CC1.

What is the InChIKey of 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide?

The InChIKey is UWSMHYHRNYLDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-4-2-3-5-18(16)13-23-14-21(15-23)19(9-11-25-21)8-10-22-20(24)12-17-6-7-17/h2-5,17,19H,6-15H2,1H3,(H,22,24).

What are the key properties of 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide?

2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide has a molecular weight of 342.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide is sourced from PubChem (CID 131663415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).