3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide

C33H51NO3 — CID 163382229

IUPAC3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide
SMILESCC.CC(C1CC1)C(C)(C)O.CCC(=O)N(C)c1ccc(-c2cccc(CC)c2C(=O)C(C)C)cc1C
InChIInChI=1S/C23H29NO2.C8H16O.C2H6/c1-7-17-10-9-11-19(22(17)23(26)15(3)4)18-12-13-20(16(5)14-18)24(6)21(25)8-2;1-6(7-4-5-7)8(2,3)9;1-2/h9-15H,7-8H2,1-6H3;6-7,9H,4-5H2,1-3H3;1-2H3
InChIKeyVWJNNUNEKQGFMZ-UHFFFAOYSA-N
MW509.78 g/mol
LogP8.27
Rot. Bonds8

About 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide

3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide (PubChem CID 163382229) has the molecular formula C33H51NO3 and a molecular weight of 509.78 g/mol. Its IUPAC name is 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide
PubChem CID163382229
Molecular FormulaC33H51NO3
Molecular Weight509.78 g/mol
Exact Mass509.39
IUPAC Name3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide
SMILESCC.CC(C1CC1)C(C)(C)O.CCC(=O)N(C)c1ccc(-c2cccc(CC)c2C(=O)C(C)C)cc1C
InChIInChI=1S/C23H29NO2.C8H16O.C2H6/c1-7-17-10-9-11-19(22(17)23(26)15(3)4)18-12-13-20(16(5)14-18)24(6)21(25)8-2;1-6(7-4-5-7)8(2,3)9;1-2/h9-15H,7-8H2,1-6H3;6-7,9H,4-5H2,1-3H3;1-2H3
InChIKeyVWJNNUNEKQGFMZ-UHFFFAOYSA-N
XLogP8.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.78
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide?
The IUPAC name of 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide (CID 163382229) is 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide?
The canonical SMILES for 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide is CC.CC(C1CC1)C(C)(C)O.CCC(=O)N(C)c1ccc(-c2cccc(CC)c2C(=O)C(C)C)cc1C.
What is the InChIKey of 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide?
The InChIKey is VWJNNUNEKQGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2.C8H16O.C2H6/c1-7-17-10-9-11-19(22(17)23(26)15(3)4)18-12-13-20(16(5)14-18)24(6)21(25)8-2;1-6(7-4-5-7)8(2,3)9;1-2/h9-15H,7-8H2,1-6H3;6-7,9H,4-5H2,1-3H3;1-2H3.
What are the key properties of 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide?
3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide has a molecular weight of 509.78 g/mol, XLogP of 8.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide is sourced from PubChem (CID 163382229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).