4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene

C132H185N7O8S — CID 157061415

IUPAC4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene
SMILESCC(C)(C)Cc1cccc(C(=O)N2CCCCC2)c1.CC(C)(C)Cc1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)Cc1cccc(OCc2ccccc2)c1.CC(C)CN(C)C(=O)c1cccc(CC(C)(C)C)c1.CC(C)COc1cccc(CC(C)(C)C)c1.CC(C)Cc1cccc(Oc2ccccc2)c1.CCCNc1cc(CC(C)C)cc(-c2ccn(C)n2)c1.CCOc1cc(CC(C)(C)C)cc(-c2cscn2)c1
InChIInChI=1S/C18H22O.C17H25N3.C17H25NO.C17H27NO.C16H23NO2.C16H21NOS.C16H18O.C15H24O/c1-18(2,3)13-16-10-7-11-17(12-16)19-14-15-8-5-4-6-9-15;1-5-7-18-16-11-14(9-13(2)3)10-15(12-16)17-6-8-20(4)19-17;1-17(2,3)13-14-8-7-9-15(12-14)16(19)18-10-5-4-6-11-18;1-13(2)12-18(6)16(19)15-9-7-8-14(10-15)11-17(3,4)5;1-16(2,3)12-13-5-4-6-14(11-13)15(18)17-7-9-19-10-8-17;1-5-18-14-7-12(9-16(2,3)4)6-13(8-14)15-10-19-11-17-15;1-13(2)11-14-7-6-10-16(12-14)17-15-8-4-3-5-9-15;1-12(2)11-16-14-8-6-7-13(9-14)10-15(3,4)5/h4-12H,13-14H2,1-3H3;6,8,10-13,18H,5,7,9H2,1-4H3;7-9,12H,4-6,10-11,13H2,1-3H3;7-10,13H,11-12H2,1-6H3;4-6,11H,7-10,12H2,1-3H3;6-8,10-11H,5,9H2,1-4H3;3-10,12-13H,11H2,1-2H3;6-9,12H,10-11H2,1-5H3
InChIKeyABJKGIRJCPBJTE-UHFFFAOYSA-N
MW2030.04 g/mol
LogP33.40
Rot. Bonds30

About 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene

4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene (PubChem CID 157061415) has the molecular formula C132H185N7O8S and a molecular weight of 2030.04 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene.

Molecular Properties

Compound Name4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene
PubChem CID157061415
Molecular FormulaC132H185N7O8S
Molecular Weight2030.04 g/mol
Exact Mass2028.40
IUPAC Name4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene
SMILESCC(C)(C)Cc1cccc(C(=O)N2CCCCC2)c1.CC(C)(C)Cc1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)Cc1cccc(OCc2ccccc2)c1.CC(C)CN(C)C(=O)c1cccc(CC(C)(C)C)c1.CC(C)COc1cccc(CC(C)(C)C)c1.CC(C)Cc1cccc(Oc2ccccc2)c1.CCCNc1cc(CC(C)C)cc(-c2ccn(C)n2)c1.CCOc1cc(CC(C)(C)C)cc(-c2cscn2)c1
InChIInChI=1S/C18H22O.C17H25N3.C17H25NO.C17H27NO.C16H23NO2.C16H21NOS.C16H18O.C15H24O/c1-18(2,3)13-16-10-7-11-17(12-16)19-14-15-8-5-4-6-9-15;1-5-7-18-16-11-14(9-13(2)3)10-15(12-16)17-6-8-20(4)19-17;1-17(2,3)13-14-8-7-9-15(12-14)16(19)18-10-5-4-6-11-18;1-13(2)12-18(6)16(19)15-9-7-8-14(10-15)11-17(3,4)5;1-16(2,3)12-13-5-4-6-14(11-13)15(18)17-7-9-19-10-8-17;1-5-18-14-7-12(9-16(2,3)4)6-13(8-14)15-10-19-11-17-15;1-13(2)11-14-7-6-10-16(12-14)17-15-8-4-3-5-9-15;1-12(2)11-16-14-8-6-7-13(9-14)10-15(3,4)5/h4-12H,13-14H2,1-3H3;6,8,10-13,18H,5,7,9H2,1-4H3;7-9,12H,4-6,10-11,13H2,1-3H3;7-10,13H,11-12H2,1-6H3;4-6,11H,7-10,12H2,1-3H3;6-8,10-11H,5,9H2,1-4H3;3-10,12-13H,11H2,1-2H3;6-9,12H,10-11H2,1-5H3
InChIKeyABJKGIRJCPBJTE-UHFFFAOYSA-N
XLogP33.40
TPSA149.82 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002030.04
LogP ≤ 533.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene with MolForge

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-[4-(3-methoxyphenyl)thiazol-2-yl]tetrahydropyran-4-yl]methyl]benzamide
CID 127033538
3-(1,3-thiazol-4-ylmethoxy)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]benzamide
CID 56121994
N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide
CID 155942849
2-[2-[1-tert-butyl-5-(3-phenoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250771
N-[4-[3-[4-[[(2S)-3,3-dimethyl-1-[(2S)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobutoxy]-5-(4-methylpiperazin-1-yl)phenyl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 156054964
N-[4-[3-[(dimethylamino)methyl]-5-[3-[[(2S)-3,3-dimethyl-1-[(2S)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-3-oxopropoxy]phenyl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 156055132
N-[4-[3-[4-[[(2S)-3,3-dimethyl-1-[(2S)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobutoxy]phenyl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 156055282
N-cyclopropyl-2-methoxy-3-methylbenzamide;N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine
CID 157272933
3-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1-methylpyrazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenoxybenzene;4-[3-(2,2-dimethylpropyl)phenoxy]-2-methoxypyridine;5-[3-(2,2-dimethylpropyl)phenoxy]-2-methoxypyridine;3-[3-(2,2-dimethylpropyl)phenoxy]pyridine;4-[3-(2,2-dimethylpropyl)phenoxy]pyridine;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline
CID 157696607
bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone
CID 161406449
3-[2-[2-methoxy-5-[(1R)-1-[[2-methyl-5-(4-methylpiperazin-1-yl)benzoyl]amino]ethyl]phenyl]-1,3-thiazol-5-yl]-2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide
CID 167225911
5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]benzamide
CID 172285910

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene?
The IUPAC name of 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene (CID 157061415) is 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene.
What is the SMILES notation for 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene?
The canonical SMILES for 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene is CC(C)(C)Cc1cccc(C(=O)N2CCCCC2)c1.CC(C)(C)Cc1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)Cc1cccc(OCc2ccccc2)c1.CC(C)CN(C)C(=O)c1cccc(CC(C)(C)C)c1.CC(C)COc1cccc(CC(C)(C)C)c1.CC(C)Cc1cccc(Oc2ccccc2)c1.CCCNc1cc(CC(C)C)cc(-c2ccn(C)n2)c1.CCOc1cc(CC(C)(C)C)cc(-c2cscn2)c1.
What is the InChIKey of 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene?
The InChIKey is ABJKGIRJCPBJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O.C17H25N3.C17H25NO.C17H27NO.C16H23NO2.C16H21NOS.C16H18O.C15H24O/c1-18(2,3)13-16-10-7-11-17(12-16)19-14-15-8-5-4-6-9-15;1-5-7-18-16-11-14(9-13(2)3)10-15(12-16)17-6-8-20(4)19-17;1-17(2,3)13-14-8-7-9-15(12-14)16(19)18-10-5-4-6-11-18;1-13(2)12-18(6)16(19)15-9-7-8-14(10-15)11-17(3,4)5;1-16(2,3)12-13-5-4-6-14(11-13)15(18)17-7-9-19-10-8-17;1-5-18-14-7-12(9-16(2,3)4)6-13(8-14)15-10-19-11-17-15;1-13(2)11-14-7-6-10-16(12-14)17-15-8-4-3-5-9-15;1-12(2)11-16-14-8-6-7-13(9-14)10-15(3,4)5/h4-12H,13-14H2,1-3H3;6,8,10-13,18H,5,7,9H2,1-4H3;7-9,12H,4-6,10-11,13H2,1-3H3;7-10,13H,11-12H2,1-6H3;4-6,11H,7-10,12H2,1-3H3;6-8,10-11H,5,9H2,1-4H3;3-10,12-13H,11H2,1-2H3;6-9,12H,10-11H2,1-5H3.
What are the key properties of 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene?
4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene has a molecular weight of 2030.04 g/mol, XLogP of 33.40, 30 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylpropyl)-5-ethoxyphenyl]-1,3-thiazole;3-(2,2-dimethylpropyl)-N-methyl-N-(2-methylpropyl)benzamide;1-(2,2-dimethylpropyl)-3-(2-methylpropoxy)benzene;1-(2,2-dimethylpropyl)-3-phenylmethoxybenzene;[3-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone;[3-(2,2-dimethylpropyl)phenyl]-piperidin-1-ylmethanone;3-(2-methylpropyl)-5-(1-methylpyrazol-3-yl)-N-propylaniline;1-(2-methylpropyl)-3-phenoxybenzene is sourced from PubChem (CID 157061415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).