3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide

C12H20N2O4 — CID 113339384

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C12H20N2O4/c1-2-13(7-3-9-15)10(16)6-8-14-11(17)4-5-12(14)18/h15H,2-9H2,1H3
InChIKeyGWXVKNIYKLKAQC-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.24
Rot. Bonds7

About 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide (PubChem CID 113339384) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
PubChem CID113339384
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C12H20N2O4/c1-2-13(7-3-9-15)10(16)6-8-14-11(17)4-5-12(14)18/h15H,2-9H2,1H3
InChIKeyGWXVKNIYKLKAQC-UHFFFAOYSA-N
XLogP-0.24
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nsc226270
CID 313147
1-Methylpyrrolidin-2-one;propan-1-ol
CID 22151758
1-(1-Hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one
CID 23201031
3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide
CID 43417725
1,1-Bis(3-hydroxypropyl)pyrrolidin-1-ium-2-one
CID 54207638
1-(3-Hydroxypropyl)-3-methylpyrrolidine-2,5-dione
CID 58340901
1-(Dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid
CID 70633646
1-(Diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid
CID 70634250
1-(3-Hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione
CID 86041971
(E)-(2,5-dioxopyrrolidin-1-yl)methoxyimino-[3-hydroxypropyl(methyl)amino]-oxidoazanium
CID 118237698
(2,5-Dioxopyrrolidin-1-yl)methoxyimino-[3-hydroxypropyl(methyl)amino]-oxidoazanium
CID 118237701
1-(3-Hydroxypropyl)-1-methylpyrrolidin-1-ium-2-one
CID 123911106

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide (CID 113339384) is 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is GWXVKNIYKLKAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-13(7-3-9-15)10(16)6-8-14-11(17)4-5-12(14)18/h15H,2-9H2,1H3.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 256.30 g/mol, XLogP of -0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 113339384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).