N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide

C8H17NO — CID 167316538

IUPACN-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide
SMILES[2H]C([2H])([2H])C(NC(=O)C(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C8H17NO/c1-6(2)7(10)9-8(3,4)5/h6H,1-5H3,(H,9,10)/i3D3,4D3,5D3
InChIKeyOEIZGTXQZLSLFL-YJMGCJIZSA-N
MW152.28 g/mol
LogP1.56
Rot. Bonds1

About N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide

N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide (PubChem CID 167316538) has the molecular formula C8H17NO and a molecular weight of 152.28 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide
PubChem CID167316538
Molecular FormulaC8H17NO
Molecular Weight152.28 g/mol
Exact Mass152.19
IUPAC NameN-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide
SMILES[2H]C([2H])([2H])C(NC(=O)C(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C8H17NO/c1-6(2)7(10)9-8(3,4)5/h6H,1-5H3,(H,9,10)/i3D3,4D3,5D3
InChIKeyOEIZGTXQZLSLFL-YJMGCJIZSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide
CID 159998145
N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide
CID 164772716
ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
CID 142311120
N-(aminomethyl)-2-methylpropanamide
CID 88582106
N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide
CID 167316537
N-tert-butyl-2-fluoropropanamide
CID 167699160
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-tert-butyl-2-chloro-3-methylbutanamide
CID 60693170
2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide
CID 15438826

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide (CID 167316538) is N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide is [2H]C([2H])([2H])C(NC(=O)C(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is OEIZGTXQZLSLFL-YJMGCJIZSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)7(10)9-8(3,4)5/h6H,1-5H3,(H,9,10)/i3D3,4D3,5D3.
What are the key properties of N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide?
N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 152.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 167316538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).