(2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide

C25H32N2O3 — CID 42343316

About (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide

(2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide (PubChem CID 42343316) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide
• PubChem CID: 42343316
• Molecular Formula: C25H32N2O3
• Molecular Weight: 408.54 g/mol
• Exact Mass: 408.24
• IUPAC Name: (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide
• SMILES: CO[C@H](C(=O)NC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1
• InChI: InChI=1S/C25H32N2O3/c1-29-23(21-10-6-3-7-11-21)24(28)26-18-22-12-13-25(30-22)14-16-27(17-15-25)19-20-8-4-2-5-9-20/h2-11,22-23H,12-19H2,1H3,(H,26,28)/t22-,23+/m1/s1
• InChIKey: XHUGRGRARYVJTQ-PKTZIBPZSA-N
• XLogP: 3.70
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.54
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide?

The IUPAC name of (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide (CID 42343316) is (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide.

What is the SMILES notation for (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide?

The canonical SMILES for (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide is CO[C@H](C(=O)NC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1.

What is the InChIKey of (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide?

The InChIKey is XHUGRGRARYVJTQ-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-29-23(21-10-6-3-7-11-21)24(28)26-18-22-12-13-25(30-22)14-16-27(17-15-25)19-20-8-4-2-5-9-20/h2-11,22-23H,12-19H2,1H3,(H,26,28)/t22-,23+/m1/s1.

What are the key properties of (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide?

(2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 408.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 42343316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).