5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane

C15H28N2O3 — CID 145076729

IUPAC5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
SMILESCC.CC.CCNC(=O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3.2C2H6/c1-2-12-9(14)5-3-4-8-13-10(15)6-7-11(13)16;2*1-2/h6-7H,2-5,8H2,1H3,(H,12,14);2*1-2H3
InChIKeyDJKTZXBSBBBSIE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.27
Rot. Bonds6

About 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane

5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane (PubChem CID 145076729) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
PubChem CID145076729
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
SMILESCC.CC.CCNC(=O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3.2C2H6/c1-2-12-9(14)5-3-4-8-13-10(15)6-7-11(13)16;2*1-2/h6-7H,2-5,8H2,1H3,(H,12,14);2*1-2H3
InChIKeyDJKTZXBSBBBSIE-UHFFFAOYSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.27
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-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
CID 91667264
(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-N-[2-(ethylamino)-2-oxoethyl]-3-methylpentanamide
CID 156842098
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
CID 145076872
6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
CID 156842075

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane (CID 145076729) is 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane is CC.CC.CCNC(=O)CCCCN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane?
The InChIKey is DJKTZXBSBBBSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.2C2H6/c1-2-12-9(14)5-3-4-8-13-10(15)6-7-11(13)16;2*1-2/h6-7H,2-5,8H2,1H3,(H,12,14);2*1-2H3.
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane?
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane has a molecular weight of 284.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane is sourced from PubChem (CID 145076729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).