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

C11H18N2O3 — CID 17034939

IUPACN-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O3/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16/h2-8H2,1H3,(H,12,14)
InChIKeyUPCSOLYBHBYWRK-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.44
Rot. Bonds6

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

N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 17034939) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID17034939
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O3/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16/h2-8H2,1H3,(H,12,14)
InChIKeyUPCSOLYBHBYWRK-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 17034939) is N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide is CCCCNC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is UPCSOLYBHBYWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16/h2-8H2,1H3,(H,12,14).
What are the key properties of N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 226.28 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 17034939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).