2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide

C22H28N4O4 — CID 30875280

About 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide

2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 30875280) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
• PubChem CID: 30875280
• Molecular Formula: C22H28N4O4
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.21
• IUPAC Name: 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
• SMILES: C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(CN3CCCC3=O)c1)C2=O
• InChI: InChI=1S/C22H28N4O4/c1-15-6-2-3-10-22(15)20(29)26(21(30)24-22)14-18(27)23-17-8-4-7-16(12-17)13-25-11-5-9-19(25)28/h4,7-8,12,15H,2-3,5-6,9-11,13-14H2,1H3,(H,23,27)(H,24,30)/t15-,22+/m0/s1
• InChIKey: ZBOCUXNLYVQLNH-OYHNWAKOSA-N
• XLogP: 2.25
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
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 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide (CID 30875280) is 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide is C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(CN3CCCC3=O)c1)C2=O.

What is the InChIKey of 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?

The InChIKey is ZBOCUXNLYVQLNH-OYHNWAKOSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-15-6-2-3-10-22(15)20(29)26(21(30)24-22)14-18(27)23-17-8-4-7-16(12-17)13-25-11-5-9-19(25)28/h4,7-8,12,15H,2-3,5-6,9-11,13-14H2,1H3,(H,23,27)(H,24,30)/t15-,22+/m0/s1.

What are the key properties of 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?

2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 30875280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).