6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide

C12H18N2O3 — CID 59811725

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
SMILESCCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O3/c1-2-13-10(15)6-4-3-5-9-14-11(16)7-8-12(14)17/h7-8H,2-6,9H2,1H3,(H,13,15)
InChIKeyNETRGZARPDNHKK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.61
Rot. Bonds7

About 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide

6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide (PubChem CID 59811725) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
PubChem CID59811725
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
SMILESCCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O3/c1-2-13-10(15)6-4-3-5-9-14-11(16)7-8-12(14)17/h7-8H,2-6,9H2,1H3,(H,13,15)
InChIKeyNETRGZARPDNHKK-UHFFFAOYSA-N
XLogP0.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.61
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

5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
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
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675
(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-N-[2-(ethylamino)-2-oxoethyl]-3-methylpentanamide
CID 156842098
6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
CID 145076872
N,N'-diethylnonanediamide
CID 89048639
6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen
CID 169205494
deuterio N-[[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]methyl]carbamate
CID 140714223
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 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide (CID 59811725) is 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide is CCNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide?
The InChIKey is NETRGZARPDNHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-13-10(15)6-4-3-5-9-14-11(16)7-8-12(14)17/h7-8H,2-6,9H2,1H3,(H,13,15).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide has a molecular weight of 238.29 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide is sourced from PubChem (CID 59811725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).