2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide

C10H19NO2 — CID 89459379

IUPAC2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide
SMILES[2H]C([2H])([2H])C([2H])(NC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)9(12)8(5)11-10(13)7(3)4/h6-8H,1-5H3,(H,11,13)/i5D3,8D
InChIKeyQPBWLAKTEPFLMW-FZIQCEFGSA-N
MW189.29 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide

2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide (PubChem CID 89459379) has the molecular formula C10H19NO2 and a molecular weight of 189.29 g/mol. Its IUPAC name is 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide
PubChem CID89459379
Molecular FormulaC10H19NO2
Molecular Weight189.29 g/mol
Exact Mass189.17
IUPAC Name2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide
SMILES[2H]C([2H])([2H])C([2H])(NC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)9(12)8(5)11-10(13)7(3)4/h6-8H,1-5H3,(H,11,13)/i5D3,8D
InChIKeyQPBWLAKTEPFLMW-FZIQCEFGSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide (CID 89459379) is 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide is [2H]C([2H])([2H])C([2H])(NC(=O)C(C)C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide?
The InChIKey is QPBWLAKTEPFLMW-FZIQCEFGSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)9(12)8(5)11-10(13)7(3)4/h6-8H,1-5H3,(H,11,13)/i5D3,8D.
What are the key properties of 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide?
2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide has a molecular weight of 189.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,1,1,2-tetradeuterio-4-methyl-3-oxopentan-2-yl)propanamide is sourced from PubChem (CID 89459379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).