2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide

C12H17NO2 — CID 90474492

IUPAC2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
SMILES[2H]C(O)(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-13(4-2)12(15)11(14)10-8-6-5-7-9-10/h5-9,11,14H,3-4H2,1-2H3/i11D
InChIKeyUXLCWYBQDGCVQE-WORMITQPSA-N
MW208.28 g/mol
LogP1.59
Rot. Bonds4

About 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide

2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide (PubChem CID 90474492) has the molecular formula C12H17NO2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
PubChem CID90474492
Molecular FormulaC12H17NO2
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
SMILES[2H]C(O)(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-13(4-2)12(15)11(14)10-8-6-5-7-9-10/h5-9,11,14H,3-4H2,1-2H3/i11D
InChIKeyUXLCWYBQDGCVQE-WORMITQPSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide
CID 101250349
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
N,N-diethyl-2-hydroxy-3-phenylpropanamide
CID 102481935
2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate
CID 101353525
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
CID 134922582
2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide
CID 102499696
2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide
CID 14897370
ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate
CID 110287113
(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide
CID 110287123

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide (CID 90474492) is 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide is [2H]C(O)(C(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide?
The InChIKey is UXLCWYBQDGCVQE-WORMITQPSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-13(4-2)12(15)11(14)10-8-6-5-7-9-10/h5-9,11,14H,3-4H2,1-2H3/i11D.
What are the key properties of 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide?
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide has a molecular weight of 208.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 90474492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).