1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane

C48H70N8O2 — CID 158899357

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane
SMILESC.CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2CC1CCC1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/C26H35N5O.C21H31N3O.CH4/c1-20-27-16-23(17-28-20)30-19-25(31(24(30)32)18-21-8-7-9-21)12-14-26(15-13-25,29(2)3)22-10-5-4-6-11-22;1-23(2)21(18-9-4-3-5-10-18)13-11-20(12-14-21)16-22-19(25)24(20)15-17-7-6-8-17;/h4-6,10-11,16-17,21H,7-9,12-15,18-19H2,1-3H3;3-5,9-10,17H,6-8,11-16H2,1-2H3,(H,22,25);1H4
InChIKeyJFFWBHRHOLRSIO-UHFFFAOYSA-N
MW791.14 g/mol
LogP8.81
Rot. Bonds9

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane

1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane (PubChem CID 158899357) has the molecular formula C48H70N8O2 and a molecular weight of 791.14 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane
PubChem CID158899357
Molecular FormulaC48H70N8O2
Molecular Weight791.14 g/mol
Exact Mass790.56
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane
SMILESC.CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2CC1CCC1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/C26H35N5O.C21H31N3O.CH4/c1-20-27-16-23(17-28-20)30-19-25(31(24(30)32)18-21-8-7-9-21)12-14-26(15-13-25,29(2)3)22-10-5-4-6-11-22;1-23(2)21(18-9-4-3-5-10-18)13-11-20(12-14-21)16-22-19(25)24(20)15-17-7-6-8-17;/h4-6,10-11,16-17,21H,7-9,12-15,18-19H2,1-3H3;3-5,9-10,17H,6-8,11-16H2,1-2H3,(H,22,25);1H4
InChIKeyJFFWBHRHOLRSIO-UHFFFAOYSA-N
XLogP8.81
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.14
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane with MolForge

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Related Compounds

US10807988, Example SC_3401
CID 130201129
US10807988, Example SC_3022
CID 130201136
US10807988, Example SC_3038
CID 130201507
US10807988, Example SC_3044
CID 130200961
US10807988, Example SC_3271
CID 130200973
US10807988, Example SC_3042
CID 130201110
US10807988, Example SC_3245
CID 130201137
US10807988, Example SC_3307
CID 130201212
US10807988, Example SC_3237
CID 130201229
US10807988, Example SC_3270
CID 130201261
US10807988, Example SC_3185
CID 130201269
US10807988, Example SC_3132
CID 130201283

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane (CID 158899357) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane is C.CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2CC1CCC1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane?
The InChIKey is JFFWBHRHOLRSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O.C21H31N3O.CH4/c1-20-27-16-23(17-28-20)30-19-25(31(24(30)32)18-21-8-7-9-21)12-14-26(15-13-25,29(2)3)22-10-5-4-6-11-22;1-23(2)21(18-9-4-3-5-10-18)13-11-20(12-14-21)16-22-19(25)24(20)15-17-7-6-8-17;/h4-6,10-11,16-17,21H,7-9,12-15,18-19H2,1-3H3;3-5,9-10,17H,6-8,11-16H2,1-2H3,(H,22,25);1H4.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane has a molecular weight of 791.14 g/mol, XLogP of 8.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane is sourced from PubChem (CID 158899357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).