N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C19H34N2O8 — CID 118907319

IUPACN-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOCCOCC(COCCCNC(=O)CCN1C(=O)CCC1=O)OCCOC
InChIInChI=1S/C19H34N2O8/c1-25-10-12-28-15-16(29-13-11-26-2)14-27-9-3-7-20-17(22)6-8-21-18(23)4-5-19(21)24/h16H,3-15H2,1-2H3,(H,20,22)
InChIKeyGHRVQAQDHUCSPW-UHFFFAOYSA-N
MW418.49 g/mol
LogP-0.26
Rot. Bonds18

About N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 118907319) has the molecular formula C19H34N2O8 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID118907319
Molecular FormulaC19H34N2O8
Molecular Weight418.49 g/mol
Exact Mass418.23
IUPAC NameN-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOCCOCC(COCCCNC(=O)CCN1C(=O)CCC1=O)OCCOC
InChIInChI=1S/C19H34N2O8/c1-25-10-12-28-15-16(29-13-11-26-2)14-27-9-3-7-20-17(22)6-8-21-18(23)4-5-19(21)24/h16H,3-15H2,1-2H3,(H,20,22)
InChIKeyGHRVQAQDHUCSPW-UHFFFAOYSA-N
XLogP-0.26
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[3-[3-[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]-2-[2-[2-(2-hydroxyethoxy)-3-(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 169032223
N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane
CID 159659856
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide;methane
CID 172871711
N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide;1-[7-[2,3-bis(2-methoxyethoxy)propoxy]-3-oxoheptyl]-3-methylpyrrolidine-2,5-dione;ethane;2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]-N-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexyl]acetamide
CID 160514066
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate
CID 139525550
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide
CID 140594375
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-[2-[3-(3-methoxy-3-methylbutoxy)butoxy]ethoxy]-2-[2-[3-(3-methylbutoxy)butoxy]ethoxy]propoxy]propyl]propanamide;methanol
CID 142314212
3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
CID 173035040
[2-[7-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-4-oxoheptoxy]-3-[2-(2-methoxyethoxy)ethylcarbamoyloxy]propyl] 4-(2-methoxyethoxy)butanoate
CID 58242283
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 59828138
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 118907319) is N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is COCCOCC(COCCCNC(=O)CCN1C(=O)CCC1=O)OCCOC.
What is the InChIKey of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is GHRVQAQDHUCSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O8/c1-25-10-12-28-15-16(29-13-11-26-2)14-27-9-3-7-20-17(22)6-8-21-18(23)4-5-19(21)24/h16H,3-15H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 418.49 g/mol, XLogP of -0.26, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 118907319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).