1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide

C105H184N6O30Si3 — CID 161187003

IUPAC1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide
SMILESCC1C(=O)N(C2CCCCC2)C(=O)C1C.CC1C(=O)N(c2ccccc2)C(=O)C1C.CC1C(=O)N(c2ccccc2)C(=O)C1C.CCC(C)(C)C(=O)OCCC[Si](C)(OC)OC.CCC(C)(C)C(=O)OCCC[Si](OC)(OC)OC.CCC(C)(C)C(=O)OCCC[Si](OC)(OC)OC.CCC(C)(C)C(=O)OCCN=C=O.CCC(C)(C)C(=O)OCCN=C=O.CCC(C)(C)C(=O)OCCO.CCC(C)C(=O)N(C)C
InChIInChI=1S/C12H19NO2.2C12H13NO2.2C12H26O5Si.C12H26O4Si.2C9H15NO3.C8H16O3.C7H15NO/c3*1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10;2*1-7-12(2,3)11(13)17-9-8-10-18(14-4,15-5)16-6;1-7-12(2,3)11(13)16-9-8-10-17(6,14-4)15-5;2*1-4-9(2,3)8(12)13-6-5-10-7-11;1-4-8(2,3)7(10)11-6-5-9;1-5-6(2)7(9)8(3)4/h8-10H,3-7H2,1-2H3;2*3-9H,1-2H3;2*7-10H2,1-6H3;7-10H2,1-6H3;2*4-6H2,1-3H3;9H,4-6H2,1-3H3;6H,5H2,1-4H3
InChIKeyUTFFPXWTUMQRDD-UHFFFAOYSA-N
MW2094.90 g/mol
LogP17.49
Rot. Bonds45

About 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide

1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide (PubChem CID 161187003) has the molecular formula C105H184N6O30Si3 and a molecular weight of 2094.90 g/mol. Its IUPAC name is 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide.

Molecular Properties

Compound Name1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide
PubChem CID161187003
Molecular FormulaC105H184N6O30Si3
Molecular Weight2094.90 g/mol
Exact Mass2093.24
IUPAC Name1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide
SMILESCC1C(=O)N(C2CCCCC2)C(=O)C1C.CC1C(=O)N(c2ccccc2)C(=O)C1C.CC1C(=O)N(c2ccccc2)C(=O)C1C.CCC(C)(C)C(=O)OCCC[Si](C)(OC)OC.CCC(C)(C)C(=O)OCCC[Si](OC)(OC)OC.CCC(C)(C)C(=O)OCCC[Si](OC)(OC)OC.CCC(C)(C)C(=O)OCCN=C=O.CCC(C)(C)C(=O)OCCN=C=O.CCC(C)(C)C(=O)OCCO.CCC(C)C(=O)N(C)C
InChIInChI=1S/C12H19NO2.2C12H13NO2.2C12H26O5Si.C12H26O4Si.2C9H15NO3.C8H16O3.C7H15NO/c3*1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10;2*1-7-12(2,3)11(13)17-9-8-10-18(14-4,15-5)16-6;1-7-12(2,3)11(13)16-9-8-10-17(6,14-4)15-5;2*1-4-9(2,3)8(12)13-6-5-10-7-11;1-4-8(2,3)7(10)11-6-5-9;1-5-6(2)7(9)8(3)4/h8-10H,3-7H2,1-2H3;2*3-9H,1-2H3;2*7-10H2,1-6H3;7-10H2,1-6H3;2*4-6H2,1-3H3;9H,4-6H2,1-3H3;6H,5H2,1-4H3
InChIKeyUTFFPXWTUMQRDD-UHFFFAOYSA-N
XLogP17.49
TPSA443.18 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds45
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002094.90
LogP ≤ 517.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide?
The IUPAC name of 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide (CID 161187003) is 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide.
What is the SMILES notation for 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide?
The canonical SMILES for 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide is CC1C(=O)N(C2CCCCC2)C(=O)C1C.CC1C(=O)N(c2ccccc2)C(=O)C1C.CC1C(=O)N(c2ccccc2)C(=O)C1C.CCC(C)(C)C(=O)OCCC[Si](C)(OC)OC.CCC(C)(C)C(=O)OCCC[Si](OC)(OC)OC.CCC(C)(C)C(=O)OCCC[Si](OC)(OC)OC.CCC(C)(C)C(=O)OCCN=C=O.CCC(C)(C)C(=O)OCCN=C=O.CCC(C)(C)C(=O)OCCO.CCC(C)C(=O)N(C)C.
What is the InChIKey of 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide?
The InChIKey is UTFFPXWTUMQRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.2C12H13NO2.2C12H26O5Si.C12H26O4Si.2C9H15NO3.C8H16O3.C7H15NO/c3*1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10;2*1-7-12(2,3)11(13)17-9-8-10-18(14-4,15-5)16-6;1-7-12(2,3)11(13)16-9-8-10-17(6,14-4)15-5;2*1-4-9(2,3)8(12)13-6-5-10-7-11;1-4-8(2,3)7(10)11-6-5-9;1-5-6(2)7(9)8(3)4/h8-10H,3-7H2,1-2H3;2*3-9H,1-2H3;2*7-10H2,1-6H3;7-10H2,1-6H3;2*4-6H2,1-3H3;9H,4-6H2,1-3H3;6H,5H2,1-4H3.
What are the key properties of 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide?
1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide has a molecular weight of 2094.90 g/mol, XLogP of 17.49, 45 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;3-[dimethoxy(methyl)silyl]propyl 2,2-dimethylbutanoate;bis(3,4-dimethyl-1-phenylpyrrolidine-2,5-dione);2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-isocyanatoethyl 2,2-dimethylbutanoate);bis(3-trimethoxysilylpropyl 2,2-dimethylbutanoate);N,N,2-trimethylbutanamide is sourced from PubChem (CID 161187003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).