2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide

C19H37N3O6 — CID 139965405

IUPAC2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
SMILESCNCCOCCN(C)C(=O)CC1CCCN1C(=O)COCCOCCOC
InChIInChI=1S/C19H37N3O6/c1-20-6-9-26-10-8-21(2)18(23)15-17-5-4-7-22(17)19(24)16-28-14-13-27-12-11-25-3/h17,20H,4-16H2,1-3H3
InChIKeyPPOILZXLQLOWNL-UHFFFAOYSA-N
MW403.52 g/mol
LogP-0.26
Rot. Bonds16

About 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide

2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide (PubChem CID 139965405) has the molecular formula C19H37N3O6 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
PubChem CID139965405
Molecular FormulaC19H37N3O6
Molecular Weight403.52 g/mol
Exact Mass403.27
IUPAC Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
SMILESCNCCOCCN(C)C(=O)CC1CCCN1C(=O)COCCOCCOC
InChIInChI=1S/C19H37N3O6/c1-20-6-9-26-10-8-21(2)18(23)15-17-5-4-7-22(17)19(24)16-28-14-13-27-12-11-25-3/h17,20H,4-16H2,1-3H3
InChIKeyPPOILZXLQLOWNL-UHFFFAOYSA-N
XLogP-0.26
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 66261434
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide
CID 139965406
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
2-[3-(4-cyclohexylbutanoyl)-1,3-thiazolidin-4-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
CID 139965400
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 103709661
1-[1-(2-propoxyacetyl)pyrrolidin-2-yl]propan-2-one
CID 107939106
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410962
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
2-[1-[4-(methylamino)butanoyl]pyrrolidin-2-yl]acetic acid
CID 61371159
2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 113265212

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide?
The IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide (CID 139965405) is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide is CNCCOCCN(C)C(=O)CC1CCCN1C(=O)COCCOCCOC.
What is the InChIKey of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide?
The InChIKey is PPOILZXLQLOWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O6/c1-20-6-9-26-10-8-21(2)18(23)15-17-5-4-7-22(17)19(24)16-28-14-13-27-12-11-25-3/h17,20H,4-16H2,1-3H3.
What are the key properties of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide?
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide has a molecular weight of 403.52 g/mol, XLogP of -0.26, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide is sourced from PubChem (CID 139965405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).