4-(2,4-dimethoxyphenyl)-4-oxobutanamide

C12H15NO4 — CID 56984225

IUPAC4-(2,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(N)=O)c(OC)c1
InChIInChI=1S/C12H15NO4/c1-16-8-3-4-9(11(7-8)17-2)10(14)5-6-12(13)15/h3-4,7H,5-6H2,1-2H3,(H2,13,15)
InChIKeyHOZDQDWFXUSLMV-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.15
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-4-oxobutanamide

4-(2,4-dimethoxyphenyl)-4-oxobutanamide (PubChem CID 56984225) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-4-oxobutanamide
PubChem CID56984225
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-(2,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(N)=O)c(OC)c1
InChIInChI=1S/C12H15NO4/c1-16-8-3-4-9(11(7-8)17-2)10(14)5-6-12(13)15/h3-4,7H,5-6H2,1-2H3,(H2,13,15)
InChIKeyHOZDQDWFXUSLMV-UHFFFAOYSA-N
XLogP1.15
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-(2,4-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698324
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2,4-dimethoxyphenyl)pent-3-yn-1-one
CID 114964937
4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-4-oxobutanamide (CID 56984225) is 4-(2,4-dimethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The InChIKey is HOZDQDWFXUSLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-8-3-4-9(11(7-8)17-2)10(14)5-6-12(13)15/h3-4,7H,5-6H2,1-2H3,(H2,13,15).
What are the key properties of 4-(2,4-dimethoxyphenyl)-4-oxobutanamide?
4-(2,4-dimethoxyphenyl)-4-oxobutanamide has a molecular weight of 237.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 56984225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).