(2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate

C18H30N2O5 — CID 58482186

IUPAC(2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate
SMILESCC(=O)NCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H30N2O5/c1-15(21)19-14-10-8-6-4-2-3-5-7-9-11-18(24)25-20-16(22)12-13-17(20)23/h2-14H2,1H3,(H,19,21)
InChIKeySCNYUFIFWBBCHJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate

(2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate (PubChem CID 58482186) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate
PubChem CID58482186
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate
SMILESCC(=O)NCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H30N2O5/c1-15(21)19-14-10-8-6-4-2-3-5-7-9-11-18(24)25-20-16(22)12-13-17(20)23/h2-14H2,1H3,(H,19,21)
InChIKeySCNYUFIFWBBCHJ-UHFFFAOYSA-N
XLogP2.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2,5-Dioxopyrrolidin-1-yl) 12-[(2,2,2-trifluoroacetyl)amino]dodecanoate
CID 21043577
(2,5-Dioxopyrrolidin-1-yl) 6-[(2,2,2-trifluoroacetyl)amino]hexanoate;ethane
CID 144774365
(2,5-Dioxopyrrolidin-1-yl) 6-[(1-fluorocyclooctanecarbonyl)amino]hexanoate
CID 145744730
(2,5-Dioxopyrrolidin-1-yl) 12-[(2,2,2-trifluoroacetyl)amino]dodecanoate;10-[(2,2,2-trifluoroacetyl)amino]decanoic acid
CID 161558536
1-Hydroxypyrrolidine-2,5-dione;12-[(2,2,2-trifluoroacetyl)amino]dodecanoic acid
CID 162167221
2,5-Dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate
CID 4378573
(2,5-Dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate
CID 15705259
(2,5-Dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate
CID 18419952
(2,5-Dioxopyrrolidin-1-yl) 3-(hexadecanoylamino)propanoate
CID 18419953
2,5-Dioxo-1-pyrrolidinyl 6-aminohexanoate
CID 20068490
(2,5-Dioxopyrrolidin-1-yl) 6-[6-[(2-iodoacetyl)amino]hexanoylamino]hexanoate
CID 21133418
1-[(Octadecylcarbamoyl)oxy]pyrrolidine-2,5-dione
CID 21483761

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate (CID 58482186) is (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate is CC(=O)NCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate?
The InChIKey is SCNYUFIFWBBCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-15(21)19-14-10-8-6-4-2-3-5-7-9-11-18(24)25-20-16(22)12-13-17(20)23/h2-14H2,1H3,(H,19,21).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate?
(2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate has a molecular weight of 354.45 g/mol, XLogP of 2.63, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 12-acetamidododecanoate is sourced from PubChem (CID 58482186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).