2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide

C27H36N6O3 — CID 130200776

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 130200776) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide
• PubChem CID: 130200776
• Molecular Formula: C27H36N6O3
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.28
• IUPAC Name: 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cnc(=O)[nH]c1)C(=O)N2CC1CCC1
• InChI: InChI=1S/C27H36N6O3/c1-31(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)19-32(25(36)33(26)17-20-7-6-8-20)18-23(34)30-22-15-28-24(35)29-16-22/h3-5,9-10,15-16,20H,6-8,11-14,17-19H2,1-2H3,(H,30,34)(H,28,29,35)
• InChIKey: MGBPRTRFAPQHPE-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 101.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide?

The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide (CID 130200776) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide.

What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide?

The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cnc(=O)[nH]c1)C(=O)N2CC1CCC1.

What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide?

The InChIKey is MGBPRTRFAPQHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-31(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)19-32(25(36)33(26)17-20-7-6-8-20)18-23(34)30-22-15-28-24(35)29-16-22/h3-5,9-10,15-16,20H,6-8,11-14,17-19H2,1-2H3,(H,30,34)(H,28,29,35).

What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide?

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 492.62 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 130200776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).