3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide

C14H16N2O4 — CID 17034881

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O4/c1-20-11-5-3-2-4-10(11)15-12(17)8-9-16-13(18)6-7-14(16)19/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeyKONPZWXRWMIIFP-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.17
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 17034881) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID17034881
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O4/c1-20-11-5-3-2-4-10(11)15-12(17)8-9-16-13(18)6-7-14(16)19/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeyKONPZWXRWMIIFP-UHFFFAOYSA-N
XLogP1.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 4728896
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 36662901
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxyphenyl)propanamide
CID 17446493
3-[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)propanamide
CID 98330413
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093399
methyl 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzoate
CID 17034971
N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 119421736
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 38282948
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide (CID 17034881) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is KONPZWXRWMIIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-20-11-5-3-2-4-10(11)15-12(17)8-9-16-13(18)6-7-14(16)19/h2-5H,6-9H2,1H3,(H,15,17).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 276.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 17034881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).