4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide

C18H22N2O5 — CID 118986787

IUPAC4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide
SMILESCC(C)CC1C(=O)N(CCC(=O)C(N)=O)C(=O)C1c1ccc(O)cc1
InChIInChI=1S/C18H22N2O5/c1-10(2)9-13-15(11-3-5-12(21)6-4-11)18(25)20(17(13)24)8-7-14(22)16(19)23/h3-6,10,13,15,21H,7-9H2,1-2H3,(H2,19,23)
InChIKeySUYXJMWPVBDUAU-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.95
Rot. Bonds7

About 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide

4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide (PubChem CID 118986787) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide
PubChem CID118986787
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide
SMILESCC(C)CC1C(=O)N(CCC(=O)C(N)=O)C(=O)C1c1ccc(O)cc1
InChIInChI=1S/C18H22N2O5/c1-10(2)9-13-15(11-3-5-12(21)6-4-11)18(25)20(17(13)24)8-7-14(22)16(19)23/h3-6,10,13,15,21H,7-9H2,1-2H3,(H2,19,23)
InChIKeySUYXJMWPVBDUAU-UHFFFAOYSA-N
XLogP0.95
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide (CID 118986787) is 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide is CC(C)CC1C(=O)N(CCC(=O)C(N)=O)C(=O)C1c1ccc(O)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide?
The InChIKey is SUYXJMWPVBDUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-10(2)9-13-15(11-3-5-12(21)6-4-11)18(25)20(17(13)24)8-7-14(22)16(19)23/h3-6,10,13,15,21H,7-9H2,1-2H3,(H2,19,23).
What are the key properties of 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide?
4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide has a molecular weight of 346.38 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxobutanamide is sourced from PubChem (CID 118986787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).