N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide

C13H17NO3 — CID 12768666

IUPACN,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3/c1-4-14(5-2)13(16)12(15)10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyNMPVERPEJRZCOM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.75
Rot. Bonds5

About N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide

N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 12768666) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID12768666
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3/c1-4-14(5-2)13(16)12(15)10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyNMPVERPEJRZCOM-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide
CID 94279895
N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide
CID 94270213
2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide
CID 15272504
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
(Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 24805939
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
1-(4-methoxyphenyl)hexane-1,2-dione
CID 122382011
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide (CID 12768666) is N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide is CCN(CC)C(=O)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is NMPVERPEJRZCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-14(5-2)13(16)12(15)10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide?
N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 235.28 g/mol, XLogP of 1.75, 5 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-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 12768666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).