N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide

C14H22N2O3 — CID 23557843

IUPACN,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESCCCCN(CCCC)C(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O3/c1-3-5-9-15(10-6-4-2)14(19)11-16-12(17)7-8-13(16)18/h7-8H,3-6,9-11H2,1-2H3
InChIKeyFSVJQSZSGYBDOZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.34
Rot. Bonds8

About N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide

N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 23557843) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide
PubChem CID23557843
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESCCCCN(CCCC)C(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O3/c1-3-5-9-15(10-6-4-2)14(19)11-16-12(17)7-8-13(16)18/h7-8H,3-6,9-11H2,1-2H3
InChIKeyFSVJQSZSGYBDOZ-UHFFFAOYSA-N
XLogP1.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
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,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide (CID 23557843) is N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide is CCCCN(CCCC)C(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is FSVJQSZSGYBDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-5-9-15(10-6-4-2)14(19)11-16-12(17)7-8-13(16)18/h7-8H,3-6,9-11H2,1-2H3.
What are the key properties of N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide?
N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 23557843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).