(5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C21H24N2O3 — CID 97373850

About (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97373850) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97373850
• Molecular Formula: C21H24N2O3
• Molecular Weight: 352.43 g/mol
• Exact Mass: 352.18
• IUPAC Name: (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: Cc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccoc4C)C3)C2=O)c1
• InChI: InChI=1S/C21H24N2O3/c1-15-4-3-5-17(12-15)13-22-9-7-21(20(22)25)8-10-23(14-21)19(24)18-6-11-26-16(18)2/h3-6,11-12H,7-10,13-14H2,1-2H3/t21-/m0/s1
• InChIKey: QLXVMKXFONNVEH-NRFANRHFSA-N
• XLogP: 3.16
• TPSA: 53.76 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.43
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 97373850) is (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is Cc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccoc4C)C3)C2=O)c1.

What is the InChIKey of (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is QLXVMKXFONNVEH-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-4-3-5-17(12-15)13-22-9-7-21(20(22)25)8-10-23(14-21)19(24)18-6-11-26-16(18)2/h3-6,11-12H,7-10,13-14H2,1-2H3/t21-/m0/s1.

What are the key properties of (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

(5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 352.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97373850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).