N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one

C30H67NO2 — CID 158424293

IUPACN-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one
SMILESC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)C(C)(C)C.CN(C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21NO.C9H18O.2C5H12.CH4/c1-9(2,3)8(12)11(7)10(4,5)6;1-8(2,3)7(10)9(4,5)6;2*1-5(2,3)4;/h1-7H3;1-6H3;2*1-4H3;1H4
InChIKeyHAVZZMOKLHTPSY-UHFFFAOYSA-N
MW473.87 g/mol
LogP9.68
Rot. Bonds

About N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one

N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one (PubChem CID 158424293) has the molecular formula C30H67NO2 and a molecular weight of 473.87 g/mol. Its IUPAC name is N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one.

Molecular Properties

Compound NameN-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one
PubChem CID158424293
Molecular FormulaC30H67NO2
Molecular Weight473.87 g/mol
Exact Mass473.52
IUPAC NameN-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one
SMILESC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)C(C)(C)C.CN(C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21NO.C9H18O.2C5H12.CH4/c1-9(2,3)8(12)11(7)10(4,5)6;1-8(2,3)7(10)9(4,5)6;2*1-5(2,3)4;/h1-7H3;1-6H3;2*1-4H3;1H4
InChIKeyHAVZZMOKLHTPSY-UHFFFAOYSA-N
XLogP9.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.87
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2,2-dimethylpropanamide;bis(N-tert-butyl-N,2,2-trimethylpropanamide);2,2,4,4-tetramethylpentan-3-one
CID 159915109
N-tert-butyl-2,2,2-trifluoro-N-methylacetamide
CID 115190151
2-bromo-N-tert-butyl-N,2-dimethylpropanamide
CID 54477333
N-tert-butyl-N,2,2,3,3-pentamethylbutanamide
CID 171730037
2-[tert-butyl(methyl)amino]-2-oxoacetic acid
CID 58147597
N,N-ditert-butyl-2,2-dimethylpropanamide
CID 58613636
methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate
CID 115174771
N,2,2-trimethyl-N-(trideuteriomethyl)propanamide
CID 157366464
2-amino-2,4,4-trimethylpentan-3-one;methane
CID 170638842
2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane
CID 174399036
2-bromo-N-tert-butyl-N-methylpropanamide
CID 15829371
N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid
CID 158997566

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one?
The IUPAC name of N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one (CID 158424293) is N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one.
What is the SMILES notation for N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one?
The canonical SMILES for N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one is C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)C(C)(C)C.CN(C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one?
The InChIKey is HAVZZMOKLHTPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C9H18O.2C5H12.CH4/c1-9(2,3)8(12)11(7)10(4,5)6;1-8(2,3)7(10)9(4,5)6;2*1-5(2,3)4;/h1-7H3;1-6H3;2*1-4H3;1H4.
What are the key properties of N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one?
N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one has a molecular weight of 473.87 g/mol, XLogP of 9.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one is sourced from PubChem (CID 158424293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).