(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

C23H34N2O4 — CID 126449974

About (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 126449974) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 126449974
• Molecular Formula: C23H34N2O4
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.25
• IUPAC Name: (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: CCC(C)(C)C(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1
• InChI: InChI=1S/C23H34N2O4/c1-6-22(2,3)20(26)25-14-12-23(16-25)11-8-13-24(21(23)27)15-17-9-7-10-18(28-4)19(17)29-5/h7,9-10H,6,8,11-16H2,1-5H3/t23-/m0/s1
• InChIKey: YRKKNUXULYQNFK-QHCPKHFHSA-N
• XLogP: 3.48
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 126449974) is (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is CCC(C)(C)C(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1.

What is the InChIKey of (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is YRKKNUXULYQNFK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-6-22(2,3)20(26)25-14-12-23(16-25)11-8-13-24(21(23)27)15-17-9-7-10-18(28-4)19(17)29-5/h7,9-10H,6,8,11-16H2,1-5H3/t23-/m0/s1.

What are the key properties of (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?

(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 402.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 126449974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).