(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate

C22H37NO6 — CID 72989073

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate
SMILESCCCCCCCCCCCCCCC(OC(C)=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C22H37NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(28-18(2)24)22(27)29-23-20(25)16-17-21(23)26/h19H,3-17H2,1-2H3
InChIKeyKNIFMHGHRQOGBJ-UHFFFAOYSA-N
MW411.54 g/mol
LogP4.62
Rot. Bonds16

About (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate

(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate (PubChem CID 72989073) has the molecular formula C22H37NO6 and a molecular weight of 411.54 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate
PubChem CID72989073
Molecular FormulaC22H37NO6
Molecular Weight411.54 g/mol
Exact Mass411.26
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate
SMILESCCCCCCCCCCCCCCC(OC(C)=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C22H37NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(28-18(2)24)22(27)29-23-20(25)16-17-21(23)26/h19H,3-17H2,1-2H3
InChIKeyKNIFMHGHRQOGBJ-UHFFFAOYSA-N
XLogP4.62
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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) 2-acetylsulfanylhexadecanoate
CID 89263490
(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate
CID 166769145
(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
CID 122671324
butyl 2-acetyloxyoctadecanoate
CID 87275943
hexadecyl 2-acetyloxyhexadecanoate
CID 12071370
(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate
CID 134214303
(2,5-dioxopyrrolidin-1-yl) 2-(2-aminoethyl)-3-oxoicosanoate
CID 87093708
(2S)-2-acetyloxydodecanoic acid
CID 90302969
2-acetyloxyhexadecanoic acid
CID 15599534
[(3S)-2-oxooctan-3-yl] acetate
CID 134963991
(2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate
CID 154312556
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate (CID 72989073) is (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate is CCCCCCCCCCCCCCC(OC(C)=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate?
The InChIKey is KNIFMHGHRQOGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(28-18(2)24)22(27)29-23-20(25)16-17-21(23)26/h19H,3-17H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate?
(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate has a molecular weight of 411.54 g/mol, XLogP of 4.62, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate is sourced from PubChem (CID 72989073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).