(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate

C32H58N2O5 — CID 102377713

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C32H58N2O5/c1-3-5-7-9-11-13-15-17-19-21-27-33(28-22-20-18-16-14-12-10-8-6-4-2)29(35)25-26-32(38)39-34-30(36)23-24-31(34)37/h3-28H2,1-2H3
InChIKeyXCCMFMRJIGJZGM-UHFFFAOYSA-N
MW550.83 g/mol
LogP8.04
Rot. Bonds26

About (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate

(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate (PubChem CID 102377713) has the molecular formula C32H58N2O5 and a molecular weight of 550.83 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate
PubChem CID102377713
Molecular FormulaC32H58N2O5
Molecular Weight550.83 g/mol
Exact Mass550.43
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C32H58N2O5/c1-3-5-7-9-11-13-15-17-19-21-27-33(28-22-20-18-16-14-12-10-8-6-4-2)29(35)25-26-32(38)39-34-30(36)23-24-31(34)37/h3-28H2,1-2H3
InChIKeyXCCMFMRJIGJZGM-UHFFFAOYSA-N
XLogP8.04
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.83
LogP ≤ 58.04
H-Bond Donors ≤ 50
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) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072
propyl 4-[di(nonyl)amino]-4-oxobutanoate
CID 91703014
(2,5-dioxopyrrolidin-1-yl) 4-oxo-4-propylsulfanylbutanoate
CID 90193619
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate (CID 102377713) is (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate?
The InChIKey is XCCMFMRJIGJZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N2O5/c1-3-5-7-9-11-13-15-17-19-21-27-33(28-22-20-18-16-14-12-10-8-6-4-2)29(35)25-26-32(38)39-34-30(36)23-24-31(34)37/h3-28H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate has a molecular weight of 550.83 g/mol, XLogP of 8.04, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate is sourced from PubChem (CID 102377713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).