3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C24H33N3O4 — CID 46532817

About 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 46532817) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 46532817
• Molecular Formula: C24H33N3O4
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.25
• IUPAC Name: 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: COc1cccc(C2CCCN2C(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)c1
• InChI: InChI=1S/C24H33N3O4/c1-16-12-23(2,3)15-24(13-16)21(29)27(22(30)25-24)14-20(28)26-10-6-9-19(26)17-7-5-8-18(11-17)31-4/h5,7-8,11,16,19H,6,9-10,12-15H2,1-4H3,(H,25,30)
• InChIKey: IWBKNABXSOKCCV-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 46532817) is 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is COc1cccc(C2CCCN2C(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)c1.

What is the InChIKey of 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is IWBKNABXSOKCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-16-12-23(2,3)15-24(13-16)21(29)27(22(30)25-24)14-20(28)26-10-6-9-19(26)17-7-5-8-18(11-17)31-4/h5,7-8,11,16,19H,6,9-10,12-15H2,1-4H3,(H,25,30).

What are the key properties of 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?

3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 427.55 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 46532817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).