N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide

C14H19NO3 — CID 94268012

IUPACN-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H19NO3/c1-4-15-14(17)8-6-12(16)11-5-7-13(18-3)10(2)9-11/h5,7,9H,4,6,8H2,1-3H3,(H,15,17)
InChIKeyQCUFZCMWKYUCPO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds6

About N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide

N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide (PubChem CID 94268012) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
PubChem CID94268012
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H19NO3/c1-4-15-14(17)8-6-12(16)11-5-7-13(18-3)10(2)9-11/h5,7,9H,4,6,8H2,1-3H3,(H,15,17)
InChIKeyQCUFZCMWKYUCPO-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide 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

4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
butyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 62131722
methyl 5-[[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]methyl]-2-methoxybenzoate
CID 27819912
11-bromo-1-(4-methoxy-3-methylphenyl)undecan-1-one
CID 102469746
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
CID 103035398
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide
CID 82101774
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one
CID 172859147
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide (CID 94268012) is N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide is CCNC(=O)CCC(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide?
The InChIKey is QCUFZCMWKYUCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-15-14(17)8-6-12(16)11-5-7-13(18-3)10(2)9-11/h5,7,9H,4,6,8H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide?
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide has a molecular weight of 249.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 94268012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).