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

C25H36N4O4 — CID 130200610

IUPAC2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC1COC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H36N4O4/c1-26-25(19-6-3-2-4-7-19)12-10-23(11-13-25)17-28(14-21(30)27-20-15-33-16-20)22(31)29(23)18-24(32)8-5-9-24/h2-4,6-7,20,26,32H,5,8-18H2,1H3,(H,27,30)
InChIKeyIUPZDHGTBLLYPK-UHFFFAOYSA-N
MW456.59 g/mol
LogP1.58
Rot. Bonds7

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

2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide (PubChem CID 130200610) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide
PubChem CID130200610
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC Name2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC1COC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H36N4O4/c1-26-25(19-6-3-2-4-7-19)12-10-23(11-13-25)17-28(14-21(30)27-20-15-33-16-20)22(31)29(23)18-24(32)8-5-9-24/h2-4,6-7,20,26,32H,5,8-18H2,1H3,(H,27,30)
InChIKeyIUPZDHGTBLLYPK-UHFFFAOYSA-N
XLogP1.58
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide?
The IUPAC name of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide (CID 130200610) is 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide.
What is the SMILES notation for 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide?
The canonical SMILES for 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide is CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC1COC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide?
The InChIKey is IUPZDHGTBLLYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-26-25(19-6-3-2-4-7-19)12-10-23(11-13-25)17-28(14-21(30)27-20-15-33-16-20)22(31)29(23)18-24(32)8-5-9-24/h2-4,6-7,20,26,32H,5,8-18H2,1H3,(H,27,30).
What are the key properties of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide?
2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)acetamide is sourced from PubChem (CID 130200610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).