6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide

C32H50N4O7 — CID 123765782

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide
SMILESCC(C)(CCNC(=O)CCCCCN1C(=O)C=CC1=O)COCC(C)(C)CCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C32H50N4O7/c1-31(2,17-19-33-25(37)11-7-5-9-21-35-27(39)13-14-28(35)40)23-43-24-32(3,4)18-20-34-26(38)12-8-6-10-22-36-29(41)15-16-30(36)42/h13-16H,5-12,17-24H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyRIJXSRMOMVJWNR-UHFFFAOYSA-N
MW602.77 g/mol
LogP3.04
Rot. Bonds22

About 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide

6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide (PubChem CID 123765782) has the molecular formula C32H50N4O7 and a molecular weight of 602.77 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide
PubChem CID123765782
Molecular FormulaC32H50N4O7
Molecular Weight602.77 g/mol
Exact Mass602.37
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide
SMILESCC(C)(CCNC(=O)CCCCCN1C(=O)C=CC1=O)COCC(C)(C)CCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C32H50N4O7/c1-31(2,17-19-33-25(37)11-7-5-9-21-35-27(39)13-14-28(35)40)23-43-24-32(3,4)18-20-34-26(38)12-8-6-10-22-36-29(41)15-16-30(36)42/h13-16H,5-12,17-24H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyRIJXSRMOMVJWNR-UHFFFAOYSA-N
XLogP3.04
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide (CID 123765782) is 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide is CC(C)(CCNC(=O)CCCCCN1C(=O)C=CC1=O)COCC(C)(C)CCNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide?
The InChIKey is RIJXSRMOMVJWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N4O7/c1-31(2,17-19-33-25(37)11-7-5-9-21-35-27(39)13-14-28(35)40)23-43-24-32(3,4)18-20-34-26(38)12-8-6-10-22-36-29(41)15-16-30(36)42/h13-16H,5-12,17-24H2,1-4H3,(H,33,37)(H,34,38).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide has a molecular weight of 602.77 g/mol, XLogP of 3.04, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2-dimethylbutoxy]-3,3-dimethylbutyl]hexanamide is sourced from PubChem (CID 123765782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).