4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide

C15H18N2O5 — CID 57388146

IUPAC4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide
SMILESNC(=O)CCCN1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C15H18N2O5/c16-13(20)2-1-5-17-14(21)7-10(15(17)22)6-9-3-4-11(18)8-12(9)19/h3-4,8,10,18-19H,1-2,5-7H2,(H2,16,20)
InChIKeyZDZWGRIIOSBZCT-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.28
Rot. Bonds6

About 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide

4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide (PubChem CID 57388146) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide
PubChem CID57388146
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide
SMILESNC(=O)CCCN1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C15H18N2O5/c16-13(20)2-1-5-17-14(21)7-10(15(17)22)6-9-3-4-11(18)8-12(9)19/h3-4,8,10,18-19H,1-2,5-7H2,(H2,16,20)
InChIKeyZDZWGRIIOSBZCT-UHFFFAOYSA-N
XLogP0.28
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide?
The IUPAC name of 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide (CID 57388146) is 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide is NC(=O)CCCN1C(=O)CC(Cc2ccc(O)cc2O)C1=O.
What is the InChIKey of 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide?
The InChIKey is ZDZWGRIIOSBZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c16-13(20)2-1-5-17-14(21)7-10(15(17)22)6-9-3-4-11(18)8-12(9)19/h3-4,8,10,18-19H,1-2,5-7H2,(H2,16,20).
What are the key properties of 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide?
4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide has a molecular weight of 306.32 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 57388146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).