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

C24H36N4O3 — CID 130200847

IUPAC3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(N)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C24H36N4O3/c1-26(2)24(19-7-4-3-5-8-19)14-12-22(13-15-24)17-27(16-9-20(25)29)21(30)28(22)18-23(31)10-6-11-23/h3-5,7-8,31H,6,9-18H2,1-2H3,(H2,25,29)
InChIKeyKZTKIQIFDRIQTC-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.28
Rot. Bonds7

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

3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide (PubChem CID 130200847) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide.

Molecular Properties

Compound Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide
PubChem CID130200847
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(N)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C24H36N4O3/c1-26(2)24(19-7-4-3-5-8-19)14-12-22(13-15-24)17-27(16-9-20(25)29)21(30)28(22)18-23(31)10-6-11-23/h3-5,7-8,31H,6,9-18H2,1-2H3,(H2,25,29)
InChIKeyKZTKIQIFDRIQTC-UHFFFAOYSA-N
XLogP2.28
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10807989, Example SC_1356
CID 130200704
US10793528, Example SC_5084
CID 130201060
US10793528, Example SC_5078
CID 130200844
US10793528, Example SC_5069
CID 130200865
US10793528, Example SC_5046
CID 130201069
Step A: 5-((dibenzylamino)methyl)-3-(2-hydroxy-2-methylpropyl)-5-methylimidazolidine-2,4-dione
CID 117940868
US10807989, Example SC_1177
CID 130200460

Frequently Asked Questions

What is the IUPAC name of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide?
The IUPAC name of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide (CID 130200847) is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide.
What is the SMILES notation for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide?
The canonical SMILES for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(N)=O)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide?
The InChIKey is KZTKIQIFDRIQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-26(2)24(19-7-4-3-5-8-19)14-12-22(13-15-24)17-27(16-9-20(25)29)21(30)28(22)18-23(31)10-6-11-23/h3-5,7-8,31H,6,9-18H2,1-2H3,(H2,25,29).
What are the key properties of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide?
3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide has a molecular weight of 428.58 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanamide is sourced from PubChem (CID 130200847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).