(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine

C17H34N2O4 — CID 145317347

IUPAC(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine
SMILESCC.CCC(=O)ON1C(=O)CCC1=O.CCCCN(C)CCC
InChIInChI=1S/C8H19N.C7H9NO4.C2H6/c1-4-6-8-9(3)7-5-2;1-2-7(11)12-8-5(9)3-4-6(8)10;1-2/h4-8H2,1-3H3;2-4H2,1H3;1-2H3
InChIKeySDHCFFSSMWBMCF-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.16
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine

(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine (PubChem CID 145317347) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine
PubChem CID145317347
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Name(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine
SMILESCC.CCC(=O)ON1C(=O)CCC1=O.CCCCN(C)CCC
InChIInChI=1S/C8H19N.C7H9NO4.C2H6/c1-4-6-8-9(3)7-5-2;1-2-7(11)12-8-5(9)3-4-6(8)10;1-2/h4-8H2,1-3H3;2-4H2,1H3;1-2H3
InChIKeySDHCFFSSMWBMCF-UHFFFAOYSA-N
XLogP3.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate
CID 102377713
(2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate
CID 91622342
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
(2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate
CID 11379944
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate
CID 91622341
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine (CID 145317347) is (2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine is CC.CCC(=O)ON1C(=O)CCC1=O.CCCCN(C)CCC.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine?
The InChIKey is SDHCFFSSMWBMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C7H9NO4.C2H6/c1-4-6-8-9(3)7-5-2;1-2-7(11)12-8-5(9)3-4-6(8)10;1-2/h4-8H2,1-3H3;2-4H2,1H3;1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine?
(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine has a molecular weight of 330.47 g/mol, XLogP of 3.16, 7 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) propanoate;ethane;N-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 145317347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).