N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C22H32N4O4 — CID 55747565

About N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55747565) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• PubChem CID: 55747565
• Molecular Formula: C22H32N4O4
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.24
• IUPAC Name: N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• SMILES: CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NCc1ccc(OC(C)C)nc1)C2=O
• InChI: InChI=1S/C22H32N4O4/c1-14(2)30-18-7-6-16(11-24-18)10-23-17(27)12-26-19(28)22(25-20(26)29)9-15(3)8-21(4,5)13-22/h6-7,11,14-15H,8-10,12-13H2,1-5H3,(H,23,27)(H,25,29)
• InChIKey: PUQWAIBRJKOXRS-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55747565) is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

What is the SMILES notation for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NCc1ccc(OC(C)C)nc1)C2=O.

What is the InChIKey of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is PUQWAIBRJKOXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-14(2)30-18-7-6-16(11-24-18)10-23-17(27)12-26-19(28)22(25-20(26)29)9-15(3)8-21(4,5)13-22/h6-7,11,14-15H,8-10,12-13H2,1-5H3,(H,23,27)(H,25,29).

What are the key properties of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 416.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55747565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).