(2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide

C20H32N4O2 — CID 129465887

About (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide

(2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 129465887) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide
• PubChem CID: 129465887
• Molecular Formula: C20H32N4O2
• Molecular Weight: 360.50 g/mol
• Exact Mass: 360.25
• IUPAC Name: (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide
• SMILES: CC[C@@H]1CC[C@@H](C(=O)N(Cc2nccn2CC)[C@H]2CC23CCNCC3)O1
• InChI: InChI=1S/C20H32N4O2/c1-3-15-5-6-16(26-15)19(25)24(14-18-22-11-12-23(18)4-2)17-13-20(17)7-9-21-10-8-20/h11-12,15-17,21H,3-10,13-14H2,1-2H3/t15-,16+,17+/m1/s1
• InChIKey: MCABJTOTJFBHTQ-IKGGRYGDSA-N
• XLogP: 2.33
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.50
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide?

The IUPAC name of (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide (CID 129465887) is (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide.

What is the SMILES notation for (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide?

The canonical SMILES for (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide is CC[C@@H]1CC[C@@H](C(=O)N(Cc2nccn2CC)[C@H]2CC23CCNCC3)O1.

What is the InChIKey of (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide?

The InChIKey is MCABJTOTJFBHTQ-IKGGRYGDSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-15-5-6-16(26-15)19(25)24(14-18-22-11-12-23(18)4-2)17-13-20(17)7-9-21-10-8-20/h11-12,15-17,21H,3-10,13-14H2,1-2H3/t15-,16+,17+/m1/s1.

What are the key properties of (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide?

(2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 129465887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).