2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide

C22H32N2O3 — CID 166462604

IUPAC2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1ccc(N2C(=O)CC(CC)C2=O)cc1
InChIInChI=1S/C22H32N2O3/c1-3-5-6-7-8-9-14-23-20(25)15-17-10-12-19(13-11-17)24-21(26)16-18(4-2)22(24)27/h10-13,18H,3-9,14-16H2,1-2H3,(H,23,25)
InChIKeyQMAKUQFBZUWYIP-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.00
Rot. Bonds11

About 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide

2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide (PubChem CID 166462604) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide.

Molecular Properties

Compound Name2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide
PubChem CID166462604
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1ccc(N2C(=O)CC(CC)C2=O)cc1
InChIInChI=1S/C22H32N2O3/c1-3-5-6-7-8-9-14-23-20(25)15-17-10-12-19(13-11-17)24-21(26)16-18(4-2)22(24)27/h10-13,18H,3-9,14-16H2,1-2H3,(H,23,25)
InChIKeyQMAKUQFBZUWYIP-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetamide
CID 166462610
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane
CID 163496658
methyl 4-[3-(dodecylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 4685424
3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 146383825
(3R)-1-(4-bromophenyl)-3-(dodecylamino)pyrrolidine-2,5-dione
CID 98066333
decyl 3-[4-(2,5-dioxo-3-prop-2-enylpyrrolidin-1-yl)phenyl]prop-2-enoate
CID 58271608
3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 134410037
1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione
CID 141142430

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide?
The IUPAC name of 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide (CID 166462604) is 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide.
What is the SMILES notation for 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide?
The canonical SMILES for 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide is CCCCCCCCNC(=O)Cc1ccc(N2C(=O)CC(CC)C2=O)cc1.
What is the InChIKey of 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide?
The InChIKey is QMAKUQFBZUWYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-3-5-6-7-8-9-14-23-20(25)15-17-10-12-19(13-11-17)24-21(26)16-18(4-2)22(24)27/h10-13,18H,3-9,14-16H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide?
2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide has a molecular weight of 372.51 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide is sourced from PubChem (CID 166462604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).