1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

C23H42N2O6 — CID 134403484

IUPAC1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESCC(C)(C)CCCCNCCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H42N2O6/c1-23(2,3)9-4-5-10-24-11-6-13-28-15-17-30-19-20-31-18-16-29-14-12-25-21(26)7-8-22(25)27/h7-8,24H,4-6,9-20H2,1-3H3
InChIKeyUHABQVLRWTVOCU-UHFFFAOYSA-N
MW442.60 g/mol
LogP2.17
Rot. Bonds20

About 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 134403484) has the molecular formula C23H42N2O6 and a molecular weight of 442.60 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID134403484
Molecular FormulaC23H42N2O6
Molecular Weight442.60 g/mol
Exact Mass442.30
IUPAC Name1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESCC(C)(C)CCCCNCCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H42N2O6/c1-23(2,3)9-4-5-10-24-11-6-13-28-15-17-30-19-20-31-18-16-29-14-12-25-21(26)7-8-22(25)27/h7-8,24H,4-6,9-20H2,1-3H3
InChIKeyUHABQVLRWTVOCU-UHFFFAOYSA-N
XLogP2.17
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 134401994
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 144554334
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 158577719
methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
CID 158080299
1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
CID 18417215
1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione
CID 54425649
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
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 132917103
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate
CID 162148016

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (CID 134403484) is 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is CC(C)(C)CCCCNCCCOCCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is UHABQVLRWTVOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O6/c1-23(2,3)9-4-5-10-24-11-6-13-28-15-17-30-19-20-31-18-16-29-14-12-25-21(26)7-8-22(25)27/h7-8,24H,4-6,9-20H2,1-3H3.
What are the key properties of 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 442.60 g/mol, XLogP of 2.17, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[3-(5,5-dimethylhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 134403484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).