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

C11H18N2O3 — CID 47009982

IUPACN-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCC(C)NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O3/c1-3-8(2)12-9(14)6-7-13-10(15)4-5-11(13)16/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyZQFDIHVFESHHJK-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.44
Rot. Bonds5

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

N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 47009982) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID47009982
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCC(C)NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O3/c1-3-8(2)12-9(14)6-7-13-10(15)4-5-11(13)16/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyZQFDIHVFESHHJK-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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 47009982) is N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide is CCC(C)NC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is ZQFDIHVFESHHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-8(2)12-9(14)6-7-13-10(15)4-5-11(13)16/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide 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 N-butan-2-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 47009982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).