N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C22H32N4O4 — CID 7218679

About N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 7218679) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 7218679
• Molecular Formula: C22H32N4O4
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.24
• IUPAC Name: N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CC[C@@H](C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)COC)CC2)C1=O
• InChI: InChI=1S/C22H32N4O4/c1-4-17(2)23-19(27)14-25-16-26(18-8-6-5-7-9-18)22(21(25)29)10-12-24(13-11-22)20(28)15-30-3/h5-9,17H,4,10-16H2,1-3H3,(H,23,27)/t17-/m1/s1
• InChIKey: INGRBNUIHQQNQI-QGZVFWFLSA-N
• XLogP: 1.22
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 7218679) is N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CC[C@@H](C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)COC)CC2)C1=O.

What is the InChIKey of N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is INGRBNUIHQQNQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-4-17(2)23-19(27)14-25-16-26(18-8-6-5-7-9-18)22(21(25)29)10-12-24(13-11-22)20(28)15-30-3/h5-9,17H,4,10-16H2,1-3H3,(H,23,27)/t17-/m1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 416.52 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 7218679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).