2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C27H29N3O3 — CID 42367998

About 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 42367998) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
• PubChem CID: 42367998
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
• SMILES: O=C(Cc1cccc2ccccc12)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1
• InChI: InChI=1S/C27H29N3O3/c31-25(18-22-6-3-5-20-4-1-2-7-24(20)22)29-19-23-8-11-27(33-23)12-16-30(17-13-27)26(32)21-9-14-28-15-10-21/h1-7,9-10,14-15,23H,8,11-13,16-19H2,(H,29,31)/t23-/m1/s1
• InChIKey: MMIHJFDGPVFPFN-HSZRJFAPSA-N
• XLogP: 3.75
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

The IUPAC name of 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 42367998) is 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

What is the SMILES notation for 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

The canonical SMILES for 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is O=C(Cc1cccc2ccccc12)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1.

What is the InChIKey of 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

The InChIKey is MMIHJFDGPVFPFN-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H29N3O3/c31-25(18-22-6-3-5-20-4-1-2-7-24(20)22)29-19-23-8-11-27(33-23)12-16-30(17-13-27)26(32)21-9-14-28-15-10-21/h1-7,9-10,14-15,23H,8,11-13,16-19H2,(H,29,31)/t23-/m1/s1.

What are the key properties of 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 42367998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).