N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide

C16H25NO2 — CID 57313038

IUPACN,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide
SMILES[2H]C(CCC)N(C(=O)C(O)c1ccccc1)C([2H])CCC
InChIInChI=1S/C16H25NO2/c1-3-5-12-17(13-6-4-2)16(19)15(18)14-10-8-7-9-11-14/h7-11,15,18H,3-6,12-13H2,1-2H3/i12D,13D
InChIKeyAODQXHYOYCRDFN-LNBFZYQFSA-N
MW265.39 g/mol
LogP3.15
Rot. Bonds8

About N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide

N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide (PubChem CID 57313038) has the molecular formula C16H25NO2 and a molecular weight of 265.39 g/mol. Its IUPAC name is N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide
PubChem CID57313038
Molecular FormulaC16H25NO2
Molecular Weight265.39 g/mol
Exact Mass265.20
IUPAC NameN,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide
SMILES[2H]C(CCC)N(C(=O)C(O)c1ccccc1)C([2H])CCC
InChIInChI=1S/C16H25NO2/c1-3-5-12-17(13-6-4-2)16(19)15(18)14-10-8-7-9-11-14/h7-11,15,18H,3-6,12-13H2,1-2H3/i12D,13D
InChIKeyAODQXHYOYCRDFN-LNBFZYQFSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936
1,1-diphenylheptan-3-ol
CID 132530442
2-hydroxy-1,2-diphenylethanone;nonan-5-one
CID 69310835
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide
CID 101250349

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide (CID 57313038) is N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide is [2H]C(CCC)N(C(=O)C(O)c1ccccc1)C([2H])CCC.
What is the InChIKey of N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is AODQXHYOYCRDFN-LNBFZYQFSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-12-17(13-6-4-2)16(19)15(18)14-10-8-7-9-11-14/h7-11,15,18H,3-6,12-13H2,1-2H3/i12D,13D.
What are the key properties of N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide?
N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 265.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 57313038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).