N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

C24H29FN2O3 — CID 129456847

About N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (PubChem CID 129456847) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
• PubChem CID: 129456847
• Molecular Formula: C24H29FN2O3
• Molecular Weight: 412.51 g/mol
• Exact Mass: 412.22
• IUPAC Name: N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
• SMILES: Cc1ccc(F)cc1NC(=O)CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1
• InChI: InChI=1S/C24H29FN2O3/c1-18-8-9-20(25)14-21(18)26-23(28)16-27-12-11-24(10-5-13-30-24)22(15-27)29-17-19-6-3-2-4-7-19/h2-4,6-9,14,22H,5,10-13,15-17H2,1H3,(H,26,28)/t22-,24-/m1/s1
• InChIKey: NEXIUHNZIOUSFS-ISKFKSNPSA-N
• XLogP: 3.91
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.51
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (CID 129456847) is N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.

What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is Cc1ccc(F)cc1NC(=O)CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1.

What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

The InChIKey is NEXIUHNZIOUSFS-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-18-8-9-20(25)14-21(18)26-23(28)16-27-12-11-24(10-5-13-30-24)22(15-27)29-17-19-6-3-2-4-7-19/h2-4,6-9,14,22H,5,10-13,15-17H2,1H3,(H,26,28)/t22-,24-/m1/s1.

What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 129456847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).