6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide

C22H36N4O5 — CID 18724284

IUPAC6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
SMILESCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C22H36N4O5/c1-2-23-18(27)10-5-3-7-15-24-19(28)11-6-4-8-16-25-20(29)12-9-17-26-21(30)13-14-22(26)31/h13-14H,2-12,15-17H2,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyLBWLZJQBGYDAQD-UHFFFAOYSA-N
MW436.55 g/mol
LogP1.18
Rot. Bonds17

About 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide

6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide (PubChem CID 18724284) has the molecular formula C22H36N4O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide.

Molecular Properties

Compound Name6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
PubChem CID18724284
Molecular FormulaC22H36N4O5
Molecular Weight436.55 g/mol
Exact Mass436.27
IUPAC Name6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
SMILESCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C22H36N4O5/c1-2-23-18(27)10-5-3-7-15-24-19(28)11-6-4-8-16-25-20(29)12-9-17-26-21(30)13-14-22(26)31/h13-14H,2-12,15-17H2,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyLBWLZJQBGYDAQD-UHFFFAOYSA-N
XLogP1.18
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
CID 145076872
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
16-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propylamino]-16-oxohexadecane-1-sulfonic acid
CID 71468255
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
2-amino-6-(2,5-dioxopyrrol-1-yl)-N-[5-(hexylamino)-5-oxopentyl]hexanamide;ethane
CID 142928631
(2S)-2,6-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoic acid
CID 149461686
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
6-(2,5-dioxopyrrol-1-yl)-N-(6-oxo-6-piperazin-1-ylhexyl)hexanamide
CID 176889453

Frequently Asked Questions

What is the IUPAC name of 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide?
The IUPAC name of 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide (CID 18724284) is 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide.
What is the SMILES notation for 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide?
The canonical SMILES for 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide is CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide?
The InChIKey is LBWLZJQBGYDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O5/c1-2-23-18(27)10-5-3-7-15-24-19(28)11-6-4-8-16-25-20(29)12-9-17-26-21(30)13-14-22(26)31/h13-14H,2-12,15-17H2,1H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide?
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide has a molecular weight of 436.55 g/mol, XLogP of 1.18, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide is sourced from PubChem (CID 18724284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).