(2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide

C26H34N2O3 — CID 42382339

About (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide

(2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42382339) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 42382339
• Molecular Formula: C26H34N2O3
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.26
• IUPAC Name: (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: COc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccc2)c(OC)c1C
• InChI: InChI=1S/C26H34N2O3/c1-19-23(30-2)10-9-21(24(19)31-3)18-28-15-12-26(13-16-28)17-22(26)25(29)27-14-11-20-7-5-4-6-8-20/h4-10,22H,11-18H2,1-3H3,(H,27,29)/t22-/m1/s1
• InChIKey: NDDVSGZNOFDRNH-JOCHJYFZSA-N
• XLogP: 3.97
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.57
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42382339) is (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide is COc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccc2)c(OC)c1C.

What is the InChIKey of (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is NDDVSGZNOFDRNH-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19-23(30-2)10-9-21(24(19)31-3)18-28-15-12-26(13-16-28)17-22(26)25(29)27-14-11-20-7-5-4-6-8-20/h4-10,22H,11-18H2,1-3H3,(H,27,29)/t22-/m1/s1.

What are the key properties of (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

(2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42382339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).