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

C8H16N2O2 — CID 58348964

IUPAC(E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCOCCN
InChIInChI=1S/C8H16N2O2/c1-2-3-8(11)10-5-7-12-6-4-9/h2-3H,4-7,9H2,1H3,(H,10,11)/b3-2+
InChIKeyJXYKKHFDZBLQAO-NSCUHMNNSA-N
MW172.23 g/mol
LogP-0.35
Rot. Bonds6

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

(E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide (PubChem CID 58348964) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide
PubChem CID58348964
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCOCCN
InChIInChI=1S/C8H16N2O2/c1-2-3-8(11)10-5-7-12-6-4-9/h2-3H,4-7,9H2,1H3,(H,10,11)/b3-2+
InChIKeyJXYKKHFDZBLQAO-NSCUHMNNSA-N
XLogP-0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminoethoxy)ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide (CID 58348964) is (E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide is C/C=C/C(=O)NCCOCCN.
What is the InChIKey of (E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide?
The InChIKey is JXYKKHFDZBLQAO-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-3-8(11)10-5-7-12-6-4-9/h2-3H,4-7,9H2,1H3,(H,10,11)/b3-2+.
What are the key properties of (E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide?
(E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide has a molecular weight of 172.23 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide is sourced from PubChem (CID 58348964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).