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

C19H37N3O7 — CID 139965406

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide
SMILESCOCCOCCOCC(=O)N1CCCC1CC(=O)NCCOCCOCCN
InChIInChI=1S/C19H37N3O7/c1-25-9-10-28-13-14-29-16-19(24)22-6-2-3-17(22)15-18(23)21-5-8-27-12-11-26-7-4-20/h17H,2-16,20H2,1H3,(H,21,23)
InChIKeyUIBDHCWTBILFTM-UHFFFAOYSA-N
MW419.52 g/mol
LogP-0.84
Rot. Bonds18

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide (PubChem CID 139965406) has the molecular formula C19H37N3O7 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide
PubChem CID139965406
Molecular FormulaC19H37N3O7
Molecular Weight419.52 g/mol
Exact Mass419.26
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide
SMILESCOCCOCCOCC(=O)N1CCCC1CC(=O)NCCOCCOCCN
InChIInChI=1S/C19H37N3O7/c1-25-9-10-28-13-14-29-16-19(24)22-6-2-3-17(22)15-18(23)21-5-8-27-12-11-26-7-4-20/h17H,2-16,20H2,1H3,(H,21,23)
InChIKeyUIBDHCWTBILFTM-UHFFFAOYSA-N
XLogP-0.84
TPSA121.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107217978
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 66261434
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide
CID 139965418
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
CID 139965405
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 103709661
N-(5-aminopentyl)-2-(1-tridecanoylpyrrolidin-2-yl)acetamide
CID 139965363
N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide
CID 139965431
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10293594
2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-ethylacetamide
CID 123400101
1-[1-(2-propoxyacetyl)pyrrolidin-2-yl]propan-2-one
CID 107939106

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide (CID 139965406) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide is COCCOCCOCC(=O)N1CCCC1CC(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide?
The InChIKey is UIBDHCWTBILFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O7/c1-25-9-10-28-13-14-29-16-19(24)22-6-2-3-17(22)15-18(23)21-5-8-27-12-11-26-7-4-20/h17H,2-16,20H2,1H3,(H,21,23).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide has a molecular weight of 419.52 g/mol, XLogP of -0.84, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 139965406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).