N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide

C10H20N2O3 — CID 76769358

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide
SMILESCC=CC(=O)NCCOCCOCCN
InChIInChI=1S/C10H20N2O3/c1-2-3-10(13)12-5-7-15-9-8-14-6-4-11/h2-3H,4-9,11H2,1H3,(H,12,13)
InChIKeyGFVMTLPSFJZTAX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.33
Rot. Bonds9

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide (PubChem CID 76769358) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide
PubChem CID76769358
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide
SMILESCC=CC(=O)NCCOCCOCCN
InChIInChI=1S/C10H20N2O3/c1-2-3-10(13)12-5-7-15-9-8-14-6-4-11/h2-3H,4-9,11H2,1H3,(H,12,13)
InChIKeyGFVMTLPSFJZTAX-UHFFFAOYSA-N
XLogP-0.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide (CID 76769358) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide is CC=CC(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide?
The InChIKey is GFVMTLPSFJZTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-10(13)12-5-7-15-9-8-14-6-4-11/h2-3H,4-9,11H2,1H3,(H,12,13).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide has a molecular weight of 216.28 g/mol, XLogP of -0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide is sourced from PubChem (CID 76769358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).