N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium)

C230H272F15N11O28S2SiY4 — CID 161287914

IUPACN-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium)
SMILESC.C.C.C.C.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CO[Si](CCC[NH3+])(OC)OC.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)cc(C(=O)NCCCC2=CCCCC2)c1.Cc1cc(C)cc(C(=O)O)c1.Cc1cc(C)cc(C(=O)[O-])c1.Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1cccc(C)c1.O=CNCCS.[Y].[Y].[Y].[Y]
InChIInChI=1S/4C21H15F3N2O4.C18H25NO.C16H15F3.C16H16O2S.4C12H18.2C9H10O2.C8H10O.C8H10.C6H17NO3Si.C3H7NOS.5CH4.4Y/c4*1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-14-11-15(2)13-17(12-14)18(20)19-10-6-9-16-7-4-3-5-8-16;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;4*1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-6-3-7(2)5-8(4-6)9(10)11;1-6-3-4-8(9)7(2)5-6;1-7-4-3-5-8(2)6-7;1-8-11(9-2,10-3)6-4-5-7;5-3-4-1-2-6;;;;;;;;;/h4*4-9H,1-3H3;7,11-13H,3-6,8-10H2,1-2H3,(H,19,20);4-9H,1-3H3;5-8H,1-4H3;4*1-6H3;2*3-5H,1-2H3,(H,10,11);3-5,9H,1-2H3;3-6H,1-2H3;4-7H2,1-3H3;3,6H,1-2H2,(H,4,5);5*1H4;;;;
InChIKeyVFYSEIYCWYEZDD-UHFFFAOYSA-N
MW4371.57 g/mol
LogP48.83
Rot. Bonds25

About N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium)

N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium) (PubChem CID 161287914) has the molecular formula C230H272F15N11O28S2SiY4 and a molecular weight of 4371.57 g/mol. Its IUPAC name is N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium).

Molecular Properties

Compound NameN-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium)
PubChem CID161287914
Molecular FormulaC230H272F15N11O28S2SiY4
Molecular Weight4371.57 g/mol
Exact Mass4368.54
IUPAC NameN-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium)
SMILESC.C.C.C.C.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CO[Si](CCC[NH3+])(OC)OC.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)cc(C(=O)NCCCC2=CCCCC2)c1.Cc1cc(C)cc(C(=O)O)c1.Cc1cc(C)cc(C(=O)[O-])c1.Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1cccc(C)c1.O=CNCCS.[Y].[Y].[Y].[Y]
InChIInChI=1S/4C21H15F3N2O4.C18H25NO.C16H15F3.C16H16O2S.4C12H18.2C9H10O2.C8H10O.C8H10.C6H17NO3Si.C3H7NOS.5CH4.4Y/c4*1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-14-11-15(2)13-17(12-14)18(20)19-10-6-9-16-7-4-3-5-8-16;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;4*1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-6-3-7(2)5-8(4-6)9(10)11;1-6-3-4-8(9)7(2)5-6;1-7-4-3-5-8(2)6-7;1-8-11(9-2,10-3)6-4-5-7;5-3-4-1-2-6;;;;;;;;;/h4*4-9H,1-3H3;7,11-13H,3-6,8-10H2,1-2H3,(H,19,20);4-9H,1-3H3;5-8H,1-4H3;4*1-6H3;2*3-5H,1-2H3,(H,10,11);3-5,9H,1-2H3;3-6H,1-2H3;4-7H2,1-3H3;3,6H,1-2H2,(H,4,5);5*1H4;;;;
InChIKeyVFYSEIYCWYEZDD-UHFFFAOYSA-N
XLogP48.83
TPSA544.37 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004371.57
LogP ≤ 548.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium) with MolForge

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Related Compounds

3,5-Dimethylbenzoate;3,5-dimethylbenzoic acid;dimethyl-[3-(prop-2-enoylamino)propyl]azanium;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);bis(2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide)
CID 160231380
3,5-Dimethylbenzoic acid;2,4-dimethylphenol;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;bis(2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);tris(1,2,3,4,5-pentamethylbenzene);1,2,3-trimethyl-5-[(3,4,5-trimethylphenyl)methyl]benzene
CID 162126934

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium)?
The IUPAC name of N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium) (CID 161287914) is N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium).
What is the SMILES notation for N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium)?
The canonical SMILES for N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium) is C.C.C.C.C.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CO[Si](CCC[NH3+])(OC)OC.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)cc(C(=O)NCCCC2=CCCCC2)c1.Cc1cc(C)cc(C(=O)O)c1.Cc1cc(C)cc(C(=O)[O-])c1.Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1cccc(C)c1.O=CNCCS.[Y].[Y].[Y].[Y].
What is the InChIKey of N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium)?
The InChIKey is VFYSEIYCWYEZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H15F3N2O4.C18H25NO.C16H15F3.C16H16O2S.4C12H18.2C9H10O2.C8H10O.C8H10.C6H17NO3Si.C3H7NOS.5CH4.4Y/c4*1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-14-11-15(2)13-17(12-14)18(20)19-10-6-9-16-7-4-3-5-8-16;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;4*1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-6-3-7(2)5-8(4-6)9(10)11;1-6-3-4-8(9)7(2)5-6;1-7-4-3-5-8(2)6-7;1-8-11(9-2,10-3)6-4-5-7;5-3-4-1-2-6;;;;;;;;;/h4*4-9H,1-3H3;7,11-13H,3-6,8-10H2,1-2H3,(H,19,20);4-9H,1-3H3;5-8H,1-4H3;4*1-6H3;2*3-5H,1-2H3,(H,10,11);3-5,9H,1-2H3;3-6H,1-2H3;4-7H2,1-3H3;3,6H,1-2H2,(H,4,5);5*1H4;;;;.
What are the key properties of N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium)?
N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium) has a molecular weight of 4371.57 g/mol, XLogP of 48.83, 25 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexen-1-yl)propyl]-3,5-dimethylbenzamide;3,5-dimethylbenzoate;3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;tetrakis(1,2,3,4,5,6-hexamethylbenzene);methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);N-(2-sulfanylethyl)formamide;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;3-trimethoxysilylpropylazanium;1,3-xylene;tetrakis(yttrium) is sourced from PubChem (CID 161287914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).