N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide

C8H18N2O — CID 59035120

IUPACN-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide
SMILES[2H]CC(=O)NCN(C)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-7(11)9-6-10(5)8(2,3)4/h6H2,1-5H3,(H,9,11)/i1D
InChIKeyCLGYJGAQXYGNIO-MICDWDOJSA-N
MW159.25 g/mol
LogP0.81
Rot. Bonds3

About N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide

N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide (PubChem CID 59035120) has the molecular formula C8H18N2O and a molecular weight of 159.25 g/mol. Its IUPAC name is N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide.

Molecular Properties

Compound NameN-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide
PubChem CID59035120
Molecular FormulaC8H18N2O
Molecular Weight159.25 g/mol
Exact Mass159.15
IUPAC NameN-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide
SMILES[2H]CC(=O)NCN(C)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-7(11)9-6-10(5)8(2,3)4/h6H2,1-5H3,(H,9,11)/i1D
InChIKeyCLGYJGAQXYGNIO-MICDWDOJSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide?
The IUPAC name of N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide (CID 59035120) is N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide.
What is the SMILES notation for N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide?
The canonical SMILES for N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide is [2H]CC(=O)NCN(C)C(C)(C)C.
What is the InChIKey of N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide?
The InChIKey is CLGYJGAQXYGNIO-MICDWDOJSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(11)9-6-10(5)8(2,3)4/h6H2,1-5H3,(H,9,11)/i1D.
What are the key properties of N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide?
N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide has a molecular weight of 159.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide is sourced from PubChem (CID 59035120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).