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

C17H20N2O5 — CID 118986786

IUPAC3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide
SMILESCC(C)CC1C(=O)N(CC(=O)C(N)=O)C(=O)C1c1ccc(O)cc1
InChIInChI=1S/C17H20N2O5/c1-9(2)7-12-14(10-3-5-11(20)6-4-10)17(24)19(16(12)23)8-13(21)15(18)22/h3-6,9,12,14,20H,7-8H2,1-2H3,(H2,18,22)
InChIKeySLBKJCWDQLNTQM-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.56
Rot. Bonds6

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

3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide (PubChem CID 118986786) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide
PubChem CID118986786
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide
SMILESCC(C)CC1C(=O)N(CC(=O)C(N)=O)C(=O)C1c1ccc(O)cc1
InChIInChI=1S/C17H20N2O5/c1-9(2)7-12-14(10-3-5-11(20)6-4-10)17(24)19(16(12)23)8-13(21)15(18)22/h3-6,9,12,14,20H,7-8H2,1-2H3,(H2,18,22)
InChIKeySLBKJCWDQLNTQM-UHFFFAOYSA-N
XLogP0.56
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.56
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 3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide?
The IUPAC name of 3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide (CID 118986786) is 3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide is CC(C)CC1C(=O)N(CC(=O)C(N)=O)C(=O)C1c1ccc(O)cc1.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide?
The InChIKey is SLBKJCWDQLNTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-9(2)7-12-14(10-3-5-11(20)6-4-10)17(24)19(16(12)23)8-13(21)15(18)22/h3-6,9,12,14,20H,7-8H2,1-2H3,(H2,18,22).
What are the key properties of 3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide?
3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide has a molecular weight of 332.36 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-2-oxopropanamide is sourced from PubChem (CID 118986786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).