4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide

C14H22N2O3 — CID 90175962

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
SMILESCCCCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-4-5-10-15-12(17)7-6-11-16-13(18)8-9-14(16)19/h8-9H,2-7,10-11H2,1H3,(H,15,17)
InChIKeyDFYXWNYFCDTRFN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.39
Rot. Bonds9

About 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide

4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide (PubChem CID 90175962) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
PubChem CID90175962
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
SMILESCCCCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-4-5-10-15-12(17)7-6-11-16-13(18)8-9-14(16)19/h8-9H,2-7,10-11H2,1H3,(H,15,17)
InChIKeyDFYXWNYFCDTRFN-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.39
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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Related Compounds

6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
2-amino-6-(2,5-dioxopyrrol-1-yl)-N-[5-(hexylamino)-5-oxopentyl]hexanamide;ethane
CID 142928631
3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-pentylpropanamide
CID 121327567
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
CID 145076872
1-hexadecylpyrrole-2,5-dione
CID 4526314
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
16-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propylamino]-16-oxohexadecane-1-sulfonic acid
CID 71468255
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
2-amino-N-[4-(hexylamino)-4-oxobutyl]-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide
CID 142928624
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide (CID 90175962) is 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide is CCCCCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide?
The InChIKey is DFYXWNYFCDTRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-3-4-5-10-15-12(17)7-6-11-16-13(18)8-9-14(16)19/h8-9H,2-7,10-11H2,1H3,(H,15,17).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide?
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide is sourced from PubChem (CID 90175962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).