3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

C25H38N4O3 — CID 130200945

IUPAC3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1COC1
InChIInChI=1S/C25H38N4O3/c1-23(2,21(26)30)17-28-18-24(29(22(28)31)14-19-15-32-16-19)10-12-25(13-11-24,27(3)4)20-8-6-5-7-9-20/h5-9,19H,10-18H2,1-4H3,(H2,26,30)
InChIKeyMRYOMMAJGAGKJH-UHFFFAOYSA-N
MW442.60 g/mol
LogP2.65
Rot. Bonds7

About 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (PubChem CID 130200945) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
PubChem CID130200945
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1COC1
InChIInChI=1S/C25H38N4O3/c1-23(2,21(26)30)17-28-18-24(29(22(28)31)14-19-15-32-16-19)10-12-25(13-11-24,27(3)4)20-8-6-5-7-9-20/h5-9,19H,10-18H2,1-4H3,(H2,26,30)
InChIKeyMRYOMMAJGAGKJH-UHFFFAOYSA-N
XLogP2.65
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1349
CID 130200783
US10807989, Example SC_1360
CID 130200637
US10793528, Example SC_5083
CID 130200861
US10793528, Example SC_5084
CID 130201060
US10793528, Example SC_5078
CID 130200844
US10793528, Example SC_5069
CID 130200865
US10793528, Example SC_5046
CID 130201069
US10807989, Example SC_1122
CID 130200450
US10807989, Example SC_1177
CID 130200460
US10807989, Example SC_1343
CID 130200461
CIS-2-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-acetyl]amino]-N,N-dimethyl-acetamide
CID 130200462
US10807989, Example SC_1005
CID 130200463

Frequently Asked Questions

What is the IUPAC name of 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (CID 130200945) is 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1COC1.
What is the InChIKey of 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is MRYOMMAJGAGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-23(2,21(26)30)17-28-18-24(29(22(28)31)14-19-15-32-16-19)10-12-25(13-11-24,27(3)4)20-8-6-5-7-9-20/h5-9,19H,10-18H2,1-4H3,(H2,26,30).
What are the key properties of 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 442.60 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-1-(oxetan-3-ylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130200945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).