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

C14H26N2O4 — CID 89005602

IUPACN-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCOCCOCCNC(=O)CC
InChIInChI=1S/C14H26N2O4/c1-3-5-6-14(18)16-8-10-20-12-11-19-9-7-15-13(17)4-2/h3H,1,4-12H2,2H3,(H,15,17)(H,16,18)
InChIKeyYGEYTMDZRYBURL-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.63
Rot. Bonds13

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

N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide (PubChem CID 89005602) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide
PubChem CID89005602
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCOCCOCCNC(=O)CC
InChIInChI=1S/C14H26N2O4/c1-3-5-6-14(18)16-8-10-20-12-11-19-9-7-15-13(17)4-2/h3H,1,4-12H2,2H3,(H,15,17)(H,16,18)
InChIKeyYGEYTMDZRYBURL-UHFFFAOYSA-N
XLogP0.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.63
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-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide?
The IUPAC name of N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide (CID 89005602) is N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide.
What is the SMILES notation for N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide?
The canonical SMILES for N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide is C=CCCC(=O)NCCOCCOCCNC(=O)CC.
What is the InChIKey of N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide?
The InChIKey is YGEYTMDZRYBURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-6-14(18)16-8-10-20-12-11-19-9-7-15-13(17)4-2/h3H,1,4-12H2,2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide?
N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide has a molecular weight of 286.37 g/mol, XLogP of 0.63, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]pent-4-enamide is sourced from PubChem (CID 89005602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).