N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate

C35H75NO8S — CID 157160023

IUPACN-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate
SMILESCC(=O)C(C)C.CC(C)C(=O)NC(C)(C)C.CC(C)C(=O)OC(C)(C)C.CC(C)OC(=O)C(C)C.CC(C)S(C)(=O)=O.CCC
InChIInChI=1S/C8H17NO.C8H16O2.C7H14O2.C5H10O.C4H10O2S.C3H8/c1-6(2)7(10)9-8(3,4)5;1-6(2)7(9)10-8(3,4)5;1-5(2)7(8)9-6(3)4;1-4(2)5(3)6;1-4(2)7(3,5)6;1-3-2/h6H,1-5H3,(H,9,10);6H,1-5H3;5-6H,1-4H3;4H,1-3H3;4H,1-3H3;3H2,1-2H3
InChIKeyAMGLPWMIFOESAW-UHFFFAOYSA-N
MW670.05 g/mol
LogP8.22
Rot. Bonds6

About N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate

N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate (PubChem CID 157160023) has the molecular formula C35H75NO8S and a molecular weight of 670.05 g/mol. Its IUPAC name is N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate.

Molecular Properties

Compound NameN-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate
PubChem CID157160023
Molecular FormulaC35H75NO8S
Molecular Weight670.05 g/mol
Exact Mass669.52
IUPAC NameN-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate
SMILESCC(=O)C(C)C.CC(C)C(=O)NC(C)(C)C.CC(C)C(=O)OC(C)(C)C.CC(C)OC(=O)C(C)C.CC(C)S(C)(=O)=O.CCC
InChIInChI=1S/C8H17NO.C8H16O2.C7H14O2.C5H10O.C4H10O2S.C3H8/c1-6(2)7(10)9-8(3,4)5;1-6(2)7(9)10-8(3,4)5;1-5(2)7(8)9-6(3)4;1-4(2)5(3)6;1-4(2)7(3,5)6;1-3-2/h6H,1-5H3,(H,9,10);6H,1-5H3;5-6H,1-4H3;4H,1-3H3;4H,1-3H3;3H2,1-2H3
InChIKeyAMGLPWMIFOESAW-UHFFFAOYSA-N
XLogP8.22
TPSA132.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.05
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
bis(3-methylbutan-2-one);bis(2-methylsulfonylpropane)
CID 158863389
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
tert-butyl (2S,3S)-3-methyl-2-(2-methylsulfonylpropanoylamino)pentanoate
CID 103852220
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
ditert-butyl (2S,3R)-2,3-bis(methanesulfonamido)butanedioate
CID 102512584
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl 2-(hydroxyamino)-3-oxobutanoate
CID 141069698
[(2S)-3-(tert-butylamino)-3-oxo-2-(propan-2-yloxycarbonylamino)propyl] acetate
CID 164800222
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929
(2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide
CID 139520541

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate?
The IUPAC name of N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate (CID 157160023) is N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate.
What is the SMILES notation for N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate?
The canonical SMILES for N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate is CC(=O)C(C)C.CC(C)C(=O)NC(C)(C)C.CC(C)C(=O)OC(C)(C)C.CC(C)OC(=O)C(C)C.CC(C)S(C)(=O)=O.CCC.
What is the InChIKey of N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate?
The InChIKey is AMGLPWMIFOESAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C8H16O2.C7H14O2.C5H10O.C4H10O2S.C3H8/c1-6(2)7(10)9-8(3,4)5;1-6(2)7(9)10-8(3,4)5;1-5(2)7(8)9-6(3)4;1-4(2)5(3)6;1-4(2)7(3,5)6;1-3-2/h6H,1-5H3,(H,9,10);6H,1-5H3;5-6H,1-4H3;4H,1-3H3;4H,1-3H3;3H2,1-2H3.
What are the key properties of N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate?
N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate has a molecular weight of 670.05 g/mol, XLogP of 8.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylpropanamide;tert-butyl 2-methylpropanoate;3-methylbutan-2-one;2-methylsulfonylpropane;propane;propan-2-yl 2-methylpropanoate is sourced from PubChem (CID 157160023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).