4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide

C11H18N2O3 — CID 17035014

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O3/c1-8(2)12-9(14)4-3-7-13-10(15)5-6-11(13)16/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyMRPUHQAICHJGLK-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.44
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide

4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide (PubChem CID 17035014) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide
PubChem CID17035014
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O3/c1-8(2)12-9(14)4-3-7-13-10(15)5-6-11(13)16/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyMRPUHQAICHJGLK-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pramiracetam
CID 51712
N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
CID 129397
Acetamide, N-(2-(2-oxo-1-pyrrolidinyl)ethyl)-
CID 49385
2-Pyrrolidinone, 1-(4-aminobutyl)-
CID 3041220
1-Pyrrolidineacetamide, N-(2-((1-methylethyl)amino)-2-oxoethyl)-2-oxo-
CID 3050861
1-Pyrrolidineacetamide, N-(2-amino-2-oxoethyl)-alpha-methyl-2-oxo-
CID 3050865
1-Pyrrolidineacetamide, N-(2-amino-2-oxoethyl)-alpha-ethyl-2-oxo-
CID 3050866
Pramiracetam Hydrochloride
CID 3050410
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
(2S)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 11275430
N-{2-[Methyl(propan-2-yl)amino]ethyl}-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374413
1-(Butan-2-yl)pyrrolidine-2,5-dione
CID 236110

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide (CID 17035014) is 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCN1C(=O)CCC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide?
The InChIKey is MRPUHQAICHJGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(2)12-9(14)4-3-7-13-10(15)5-6-11(13)16/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide has a molecular weight of 226.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 17035014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).