N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide

C14H19NO3 — CID 82362951

IUPACN,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(CC=O)cc1
InChIInChI=1S/C14H19NO3/c1-3-15(4-2)14(17)11-18-13-7-5-12(6-8-13)9-10-16/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyARPIAZQGEHICLB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.68
Rot. Bonds7

About N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide

N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide (PubChem CID 82362951) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide
PubChem CID82362951
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(CC=O)cc1
InChIInChI=1S/C14H19NO3/c1-3-15(4-2)14(17)11-18-13-7-5-12(6-8-13)9-10-16/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyARPIAZQGEHICLB-UHFFFAOYSA-N
XLogP1.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[4-(ethylaminomethyl)phenoxy]acetamide
CID 43276989
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
N,N-diethyl-2-[4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide
CID 82364486
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
CID 79794503
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid
CID 82228535
N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128546
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide (CID 82362951) is N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide is CCN(CC)C(=O)COc1ccc(CC=O)cc1.
What is the InChIKey of N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide?
The InChIKey is ARPIAZQGEHICLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-15(4-2)14(17)11-18-13-7-5-12(6-8-13)9-10-16/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide?
N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide is sourced from PubChem (CID 82362951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).