2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide

C12H25N3O3 — CID 58701495

IUPAC2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide
SMILESNCC(=O)NCCOCCOCCN1CCCC1
InChIInChI=1S/C12H25N3O3/c13-11-12(16)14-3-7-17-9-10-18-8-6-15-4-1-2-5-15/h1-11,13H2,(H,14,16)
InChIKeyJKXNFCAGVDGOKT-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.81
Rot. Bonds10

About 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide

2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide (PubChem CID 58701495) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide
PubChem CID58701495
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide
SMILESNCC(=O)NCCOCCOCCN1CCCC1
InChIInChI=1S/C12H25N3O3/c13-11-12(16)14-3-7-17-9-10-18-8-6-15-4-1-2-5-15/h1-11,13H2,(H,14,16)
InChIKeyJKXNFCAGVDGOKT-UHFFFAOYSA-N
XLogP-0.81
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide (CID 58701495) is 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide is NCC(=O)NCCOCCOCCN1CCCC1.
What is the InChIKey of 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide?
The InChIKey is JKXNFCAGVDGOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c13-11-12(16)14-3-7-17-9-10-18-8-6-15-4-1-2-5-15/h1-11,13H2,(H,14,16).
What are the key properties of 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide?
2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide has a molecular weight of 259.35 g/mol, XLogP of -0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 58701495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).