(2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate

C20H26N2O5 — CID 87186199

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate
SMILESCCCCCCCC(=O)C(C(=O)ON1C(=O)CCC1=O)c1ccc(N)cc1
InChIInChI=1S/C20H26N2O5/c1-2-3-4-5-6-7-16(23)19(14-8-10-15(21)11-9-14)20(26)27-22-17(24)12-13-18(22)25/h8-11,19H,2-7,12-13,21H2,1H3
InChIKeyYKMDGFFJSFWXFR-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.89
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate

(2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate (PubChem CID 87186199) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate
PubChem CID87186199
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate
SMILESCCCCCCCC(=O)C(C(=O)ON1C(=O)CCC1=O)c1ccc(N)cc1
InChIInChI=1S/C20H26N2O5/c1-2-3-4-5-6-7-16(23)19(14-8-10-15(21)11-9-14)20(26)27-22-17(24)12-13-18(22)25/h8-11,19H,2-7,12-13,21H2,1H3
InChIKeyYKMDGFFJSFWXFR-UHFFFAOYSA-N
XLogP2.89
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate
CID 154312556
(2,5-dioxopyrrolidin-1-yl) 2-(2-aminoethyl)-3-oxoicosanoate
CID 87093708
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-hexyl-3-oxodecanoyl)amino]-3-phenylpropanoate
CID 21309939
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate
CID 166769145
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
CID 174768500
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072
(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate
CID 72989073
(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate
CID 134214303

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate (CID 87186199) is (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate is CCCCCCCC(=O)C(C(=O)ON1C(=O)CCC1=O)c1ccc(N)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate?
The InChIKey is YKMDGFFJSFWXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-2-3-4-5-6-7-16(23)19(14-8-10-15(21)11-9-14)20(26)27-22-17(24)12-13-18(22)25/h8-11,19H,2-7,12-13,21H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate?
(2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate has a molecular weight of 374.44 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate is sourced from PubChem (CID 87186199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).