N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide

C27H42N4O3 — CID 130202936

About N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide

N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide (PubChem CID 130202936) has the molecular formula C27H42N4O3 and a molecular weight of 470.66 g/mol. Its IUPAC name is N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide
• PubChem CID: 130202936
• Molecular Formula: C27H42N4O3
• Molecular Weight: 470.66 g/mol
• Exact Mass: 470.33
• IUPAC Name: N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide
• SMILES: CC(=O)NC(C)(C)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O
• InChI: InChI=1S/C27H42N4O3/c1-21(32)28-24(2,3)18-30-19-25(31(23(30)33)20-26(34)12-9-13-26)14-16-27(17-15-25,29(4)5)22-10-7-6-8-11-22/h6-8,10-11,34H,9,12-20H2,1-5H3,(H,28,32)
• InChIKey: QMORBGJTICUQKA-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 76.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.66
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide?

The IUPAC name of N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide (CID 130202936) is N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide.

What is the SMILES notation for N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide?

The canonical SMILES for N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide is CC(=O)NC(C)(C)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O.

What is the InChIKey of N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide?

The InChIKey is QMORBGJTICUQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O3/c1-21(32)28-24(2,3)18-30-19-25(31(23(30)33)20-26(34)12-9-13-26)14-16-27(17-15-25,29(4)5)22-10-7-6-8-11-22/h6-8,10-11,34H,9,12-20H2,1-5H3,(H,28,32).

What are the key properties of N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide?

N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide has a molecular weight of 470.66 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 130202936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).