N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide

C12H15NO2 — CID 10632099

IUPACN-(3-deuterio-4-oxo-4-phenylbutyl)acetamide
SMILES[2H]C(CCNC(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(14)13-9-5-8-12(15)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,13,14)/i8D
InChIKeyWHMXOHFLAHBICV-BNEYPBHNSA-N
MW206.26 g/mol
LogP1.79
Rot. Bonds5

About N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide

N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide (PubChem CID 10632099) has the molecular formula C12H15NO2 and a molecular weight of 206.26 g/mol. Its IUPAC name is N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide.

Molecular Properties

Compound NameN-(3-deuterio-4-oxo-4-phenylbutyl)acetamide
PubChem CID10632099
Molecular FormulaC12H15NO2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC NameN-(3-deuterio-4-oxo-4-phenylbutyl)acetamide
SMILES[2H]C(CCNC(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(14)13-9-5-8-12(15)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,13,14)/i8D
InChIKeyWHMXOHFLAHBICV-BNEYPBHNSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
N-(4-phenylpent-4-enyl)acetamide
CID 10798197
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide
CID 82100086
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
2,3-dideuterio-1-phenylnonan-1-one
CID 102082547
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
erbium;1-phenylbutane-1,3-dione
CID 175058632
N-(3-acetamidopropyl)acetamide
CID 5147555

Frequently Asked Questions

What is the IUPAC name of N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide?
The IUPAC name of N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide (CID 10632099) is N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide.
What is the SMILES notation for N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide?
The canonical SMILES for N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide is [2H]C(CCNC(C)=O)C(=O)c1ccccc1.
What is the InChIKey of N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide?
The InChIKey is WHMXOHFLAHBICV-BNEYPBHNSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(14)13-9-5-8-12(15)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,13,14)/i8D.
What are the key properties of N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide?
N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide has a molecular weight of 206.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide is sourced from PubChem (CID 10632099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).