2,2,2-trideuterio-N-(2-phenylethyl)acetamide

C10H13NO — CID 16656655

IUPAC2,2,2-trideuterio-N-(2-phenylethyl)acetamide
SMILES[2H]C([2H])([2H])C(=O)NCCc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)/i1D3
InChIKeyMODKMHXGCGKTLE-FIBGUPNXSA-N
MW166.24 g/mol
LogP1.37
Rot. Bonds4

About 2,2,2-trideuterio-N-(2-phenylethyl)acetamide

2,2,2-trideuterio-N-(2-phenylethyl)acetamide (PubChem CID 16656655) has the molecular formula C10H13NO and a molecular weight of 166.24 g/mol. Its IUPAC name is 2,2,2-trideuterio-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trideuterio-N-(2-phenylethyl)acetamide
PubChem CID16656655
Molecular FormulaC10H13NO
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name2,2,2-trideuterio-N-(2-phenylethyl)acetamide
SMILES[2H]C([2H])([2H])C(=O)NCCc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)/i1D3
InChIKeyMODKMHXGCGKTLE-FIBGUPNXSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylethylcarbamothioic S-acid
CID 11116669
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
N-(2-phenylethyl)ethanethioamide
CID 58678856
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trideuterio-N-(2-phenylethyl)acetamide?
The IUPAC name of 2,2,2-trideuterio-N-(2-phenylethyl)acetamide (CID 16656655) is 2,2,2-trideuterio-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2,2,2-trideuterio-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2,2,2-trideuterio-N-(2-phenylethyl)acetamide is [2H]C([2H])([2H])C(=O)NCCc1ccccc1.
What is the InChIKey of 2,2,2-trideuterio-N-(2-phenylethyl)acetamide?
The InChIKey is MODKMHXGCGKTLE-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)/i1D3.
What are the key properties of 2,2,2-trideuterio-N-(2-phenylethyl)acetamide?
2,2,2-trideuterio-N-(2-phenylethyl)acetamide has a molecular weight of 166.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trideuterio-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 16656655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).