N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide

C11H22N2O3 — CID 58835579

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCOCCOCCN
InChIInChI=1S/C11H22N2O3/c1-2-3-4-11(14)13-6-8-16-10-9-15-7-5-12/h2H,1,3-10,12H2,(H,13,14)
InChIKeyPXEDTBLDXCBMDM-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.06
Rot. Bonds11

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide (PubChem CID 58835579) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide
PubChem CID58835579
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCOCCOCCN
InChIInChI=1S/C11H22N2O3/c1-2-3-4-11(14)13-6-8-16-10-9-15-7-5-12/h2H,1,3-10,12H2,(H,13,14)
InChIKeyPXEDTBLDXCBMDM-UHFFFAOYSA-N
XLogP0.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide (CID 58835579) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide is C=CCCC(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide?
The InChIKey is PXEDTBLDXCBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-4-11(14)13-6-8-16-10-9-15-7-5-12/h2H,1,3-10,12H2,(H,13,14).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pent-4-enamide has a molecular weight of 230.31 g/mol, XLogP of 0.06, 11 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]pent-4-enamide is sourced from PubChem (CID 58835579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).