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

C26H40N4O2 — CID 130201069

IUPAC3-[1-(cyclobutylmethyl)-8-(dimethylamino)-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)N2CC1CCC1
InChIInChI=1S/C26H40N4O2/c1-24(2,22(27)31)18-29-19-25(30(23(29)32)17-20-9-8-10-20)13-15-26(16-14-25,28(3)4)21-11-6-5-7-12-21/h5-7,11-12,20H,8-10,13-19H2,1-4H3,(H2,27,31)
InChIKeyRRAYUCLILOLMLK-UHFFFAOYSA-N
MW440.63 g/mol
LogP3.81
Rot. Bonds7

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

3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (PubChem CID 130201069) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
PubChem CID130201069
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name3-[1-(cyclobutylmethyl)-8-(dimethylamino)-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)N2CC1CCC1
InChIInChI=1S/C26H40N4O2/c1-24(2,22(27)31)18-29-19-25(30(23(29)32)17-20-9-8-10-20)13-15-26(16-14-25,28(3)4)21-11-6-5-7-12-21/h5-7,11-12,20H,8-10,13-19H2,1-4H3,(H2,27,31)
InChIKeyRRAYUCLILOLMLK-UHFFFAOYSA-N
XLogP3.81
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone
CID 118662460
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_5083
CID 130200861
US10793528, Example SC_5084
CID 130201060
US10793528, Example SC_5078
CID 130200844
US10793528, Example SC_5069
CID 130200865
US10807989, Example SC_1103
CID 130200911

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (CID 130201069) is 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-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)N2CC1CCC1.
What is the InChIKey of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is RRAYUCLILOLMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-24(2,22(27)31)18-29-19-25(30(23(29)32)17-20-9-8-10-20)13-15-26(16-14-25,28(3)4)21-11-6-5-7-12-21/h5-7,11-12,20H,8-10,13-19H2,1-4H3,(H2,27,31).
What are the key properties of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 440.63 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130201069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).