N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide

C13H22N2O3 — CID 118234727

IUPACN-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)N1C(=O)CCC1=O
InChIInChI=1S/C13H22N2O3/c1-3-5-6-7-11(16)14(10-4-2)15-12(17)8-9-13(15)18/h3-10H2,1-2H3
InChIKeyGIXKTGRVXJTZHI-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.87
Rot. Bonds7

About N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide

N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide (PubChem CID 118234727) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide
PubChem CID118234727
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)N1C(=O)CCC1=O
InChIInChI=1S/C13H22N2O3/c1-3-5-6-7-11(16)14(10-4-2)15-12(17)8-9-13(15)18/h3-10H2,1-2H3
InChIKeyGIXKTGRVXJTZHI-UHFFFAOYSA-N
XLogP1.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
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

1-docosanoylpyrrolidine-2,5-dione
CID 149150583
N,N-dipropylnonadecanamide
CID 12960009
1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
CID 68586351
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate
CID 102377713
5-[(2,5-dioxopyrrolidin-1-yl)-(2-iodoacetyl)amino]-2-methyl-3-oxopentanoic acid
CID 157095267
N-(2,5-dioxopyrrol-1-yl)undecanehydrazide
CID 151877376
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-bromo-N-hydroxynonacosanamide
CID 87682957
N,N-dioctyltetradecanamide
CID 169083302
N-amino-N-hydroxydocosanamide
CID 87686885

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide (CID 118234727) is N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide is CCCCCC(=O)N(CCC)N1C(=O)CCC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide?
The InChIKey is GIXKTGRVXJTZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-5-6-7-11(16)14(10-4-2)15-12(17)8-9-13(15)18/h3-10H2,1-2H3.
What are the key properties of N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide?
N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide has a molecular weight of 254.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide is sourced from PubChem (CID 118234727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).