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

C26H38N4O4 — CID 130200602

IUPAC2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC1COC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H38N4O4/c1-28(2)26(20-7-4-3-5-8-20)13-11-24(12-14-26)18-29(15-22(31)27-21-16-34-17-21)23(32)30(24)19-25(33)9-6-10-25/h3-5,7-8,21,33H,6,9-19H2,1-2H3,(H,27,31)
InChIKeyCYAFQYJGQMVLGZ-UHFFFAOYSA-N
MW470.61 g/mol
LogP1.92
Rot. Bonds7

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

2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide (PubChem CID 130200602) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide
PubChem CID130200602
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Name2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC1COC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H38N4O4/c1-28(2)26(20-7-4-3-5-8-20)13-11-24(12-14-26)18-29(15-22(31)27-21-16-34-17-21)23(32)30(24)19-25(33)9-6-10-25/h3-5,7-8,21,33H,6,9-19H2,1-2H3,(H,27,31)
InChIKeyCYAFQYJGQMVLGZ-UHFFFAOYSA-N
XLogP1.92
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide?
The IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide (CID 130200602) is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide?
The canonical SMILES for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC1COC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide?
The InChIKey is CYAFQYJGQMVLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-28(2)26(20-7-4-3-5-8-20)13-11-24(12-14-26)18-29(15-22(31)27-21-16-34-17-21)23(32)30(24)19-25(33)9-6-10-25/h3-5,7-8,21,33H,6,9-19H2,1-2H3,(H,27,31).
What are the key properties of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide?
2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide has a molecular weight of 470.61 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide is sourced from PubChem (CID 130200602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).