1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide

C175H275N3O22 — CID 158273743

IUPAC1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide
SMILESCCC(C)(C)C#N.CCC(C)(C)C(=O)N(C)C.CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(N)=O.CCC(C)c1ccc(O)c(OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCCCCCCCCCCCOC(=O)C(C)(C)CC.CCOC(C)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C18H36O2.2C15H22O2.3C14H20O2.C14H22O2.C11H16O2.4C10H14O.C8H17NO.C6H13NO.C6H11N/c1-5-7-8-9-10-11-12-13-14-15-16-20-17(19)18(3,4)6-2;2*1-6-15(4,5)14(16)17-12(3)13-9-7-11(2)8-10-13;3*1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-4-8(2)9-5-6-10(12)11(7-9)13-3;4*1-3-8(2)9-4-6-10(11)7-5-9;1-6-8(2,3)7(10)9(4)5;1-4-6(2,3)5(7)8;1-4-6(2,3)5-7/h5-16H2,1-4H3;2*7-10,12H,6H2,1-5H3;3*6-11H,5H2,1-4H3;7-12H,5-6H2,1-4H3;5-8,12H,4H2,1-3H3;4*4-8,11H,3H2,1-2H3;6H2,1-5H3;4H2,1-3H3,(H2,7,8);4H2,1-3H3
InChIKeyGJIVIABCKQZNMP-UHFFFAOYSA-N
MW2773.12 g/mol
LogP48.00
Rot. Bonds55

About 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide

1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide (PubChem CID 158273743) has the molecular formula C175H275N3O22 and a molecular weight of 2773.12 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide
PubChem CID158273743
Molecular FormulaC175H275N3O22
Molecular Weight2773.12 g/mol
Exact Mass2771.05
IUPAC Name1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide
SMILESCCC(C)(C)C#N.CCC(C)(C)C(=O)N(C)C.CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(N)=O.CCC(C)c1ccc(O)c(OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCCCCCCCCCCCOC(=O)C(C)(C)CC.CCOC(C)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C18H36O2.2C15H22O2.3C14H20O2.C14H22O2.C11H16O2.4C10H14O.C8H17NO.C6H13NO.C6H11N/c1-5-7-8-9-10-11-12-13-14-15-16-20-17(19)18(3,4)6-2;2*1-6-15(4,5)14(16)17-12(3)13-9-7-11(2)8-10-13;3*1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-4-8(2)9-5-6-10(12)11(7-9)13-3;4*1-3-8(2)9-4-6-10(11)7-5-9;1-6-8(2,3)7(10)9(4)5;1-4-6(2,3)5(7)8;1-4-6(2,3)5-7/h5-16H2,1-4H3;2*7-10,12H,6H2,1-5H3;3*6-11H,5H2,1-4H3;7-12H,5-6H2,1-4H3;5-8,12H,4H2,1-3H3;4*4-8,11H,3H2,1-2H3;6H2,1-5H3;4H2,1-3H3,(H2,7,8);4H2,1-3H3
InChIKeyGJIVIABCKQZNMP-UHFFFAOYSA-N
XLogP48.00
TPSA373.83 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds55
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002773.12
LogP ≤ 548.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;1-ethenyl-4-(1-ethoxyethoxy)benzene;bis(2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate);2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate
CID 157147652
butan-2-ylbenzene;butyl 2-methylbutanoate;tetrakis(2-(dimethylamino)ethyl 2-methylbutanoate);N-[3-(dimethylamino)propyl]-2-methylbutanamide;2-ethylhexyl 2-methylbutanoate;ethyl 2-methylbutanoate;hexyl 2-methylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-methylbutanamide
CID 159185914
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
benzyl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxolane;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]benzoic acid;2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;octyl 2,2-dimethylbutanoate
CID 158381652
1-butan-2-yl-4-(1-ethoxypropoxy)benzene;1-butan-2-yl-4-methylbenzene;4-butan-2-ylphenol
CID 91131838
butan-2-ylbenzene;2-ethylhexyl 2,2-dimethylbutanoate;hexyl 2,2-dimethylbutanoate;bis([2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,2-dimethylbutanoate);2-methoxyethyl 2,2-dimethylbutanoate;bis(2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylbutanoate)
CID 158943986
2-aminoethyl 2,2-dimethylbutanoate;butan-2-imine;butan-2-ylbenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;(3-ethyloxetan-3-yl)methyl 2,2-dimethylbutanoate;methane;2-methylbutanenitrile;dihydrate
CID 159084063
4-butan-2-ylphenol;(4-hydroxyphenyl) 2,2-dimethylbutanoate
CID 162034516
2,2-dimethylbutanenitrile;dodecyl 2-methylbutanoate;methyl 2,2-dimethylbutanoate
CID 91120306
butane-1-sulfonate;bis(butan-2-ylbenzene);bis(1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene);4-butan-2-ylphenol;[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenyl]-diphenylsulfanium;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;methane
CID 158595110
butan-2-ylbenzene;butyl 2,2-dimethylbutanoate;butyl 2-methylbutanoate;2-methylbutan-2-ylbenzene;methyl 2-methylbutanoate
CID 159004277
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide?
The IUPAC name of 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide (CID 158273743) is 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide.
What is the SMILES notation for 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide?
The canonical SMILES for 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide is CCC(C)(C)C#N.CCC(C)(C)C(=O)N(C)C.CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(N)=O.CCC(C)c1ccc(O)c(OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCCCCCCCCCCCOC(=O)C(C)(C)CC.CCOC(C)Oc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide?
The InChIKey is GJIVIABCKQZNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.2C15H22O2.3C14H20O2.C14H22O2.C11H16O2.4C10H14O.C8H17NO.C6H13NO.C6H11N/c1-5-7-8-9-10-11-12-13-14-15-16-20-17(19)18(3,4)6-2;2*1-6-15(4,5)14(16)17-12(3)13-9-7-11(2)8-10-13;3*1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-4-8(2)9-5-6-10(12)11(7-9)13-3;4*1-3-8(2)9-4-6-10(11)7-5-9;1-6-8(2,3)7(10)9(4)5;1-4-6(2,3)5(7)8;1-4-6(2,3)5-7/h5-16H2,1-4H3;2*7-10,12H,6H2,1-5H3;3*6-11H,5H2,1-4H3;7-12H,5-6H2,1-4H3;5-8,12H,4H2,1-3H3;4*4-8,11H,3H2,1-2H3;6H2,1-5H3;4H2,1-3H3,(H2,7,8);4H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide?
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide has a molecular weight of 2773.12 g/mol, XLogP of 48.00, 55 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide is sourced from PubChem (CID 158273743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).