N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide

C13H26N2O4 — CID 21339759

IUPACN-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide
SMILESCCCCC(=O)NCCOCCOCCNC(C)=O
InChIInChI=1S/C13H26N2O4/c1-3-4-5-13(17)15-7-9-19-11-10-18-8-6-14-12(2)16/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUPLDJQCODBPCMS-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.46
Rot. Bonds12

About N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide (PubChem CID 21339759) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide
PubChem CID21339759
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide
SMILESCCCCC(=O)NCCOCCOCCNC(C)=O
InChIInChI=1S/C13H26N2O4/c1-3-4-5-13(17)15-7-9-19-11-10-18-8-6-14-12(2)16/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUPLDJQCODBPCMS-UHFFFAOYSA-N
XLogP0.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide?
The IUPAC name of N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide (CID 21339759) is N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide.
What is the SMILES notation for N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide?
The canonical SMILES for N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide is CCCCC(=O)NCCOCCOCCNC(C)=O.
What is the InChIKey of N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide?
The InChIKey is UPLDJQCODBPCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-3-4-5-13(17)15-7-9-19-11-10-18-8-6-14-12(2)16/h3-11H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide?
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide has a molecular weight of 274.36 g/mol, XLogP of 0.46, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]pentanamide is sourced from PubChem (CID 21339759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).