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

C10H20N2O3 — CID 58348991

IUPAC(E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide
SMILESC/C=C/C(=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)/b3-2+
InChIKeyGFVMTLPSFJZTAX-NSCUHMNNSA-N
MW216.28 g/mol
LogP-0.33
Rot. Bonds9

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

(E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide (PubChem CID 58348991) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide
PubChem CID58348991
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide
SMILESC/C=C/C(=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)/b3-2+
InChIKeyGFVMTLPSFJZTAX-NSCUHMNNSA-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 (E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide (CID 58348991) is (E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide is C/C=C/C(=O)NCCOCCOCCN.
What is the InChIKey of (E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide?
The InChIKey is GFVMTLPSFJZTAX-NSCUHMNNSA-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)/b3-2+.
What are the key properties of (E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide?
(E)-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 (E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide is sourced from PubChem (CID 58348991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).