N-ethoxy-4-hydroxypentanamide

C7H15NO3 — CID 79191769

IUPACN-ethoxy-4-hydroxypentanamide
SMILESCCONC(=O)CCC(C)O
InChIInChI=1S/C7H15NO3/c1-3-11-8-7(10)5-4-6(2)9/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyYGEQCMLXPGVMJF-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.22
Rot. Bonds5

About N-ethoxy-4-hydroxypentanamide

N-ethoxy-4-hydroxypentanamide (PubChem CID 79191769) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N-ethoxy-4-hydroxypentanamide.

Molecular Properties

Compound NameN-ethoxy-4-hydroxypentanamide
PubChem CID79191769
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN-ethoxy-4-hydroxypentanamide
SMILESCCONC(=O)CCC(C)O
InChIInChI=1S/C7H15NO3/c1-3-11-8-7(10)5-4-6(2)9/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyYGEQCMLXPGVMJF-UHFFFAOYSA-N
XLogP0.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-hydroxypentanamide?
The IUPAC name of N-ethoxy-4-hydroxypentanamide (CID 79191769) is N-ethoxy-4-hydroxypentanamide.
What is the SMILES notation for N-ethoxy-4-hydroxypentanamide?
The canonical SMILES for N-ethoxy-4-hydroxypentanamide is CCONC(=O)CCC(C)O.
What is the InChIKey of N-ethoxy-4-hydroxypentanamide?
The InChIKey is YGEQCMLXPGVMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-11-8-7(10)5-4-6(2)9/h6,9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-ethoxy-4-hydroxypentanamide?
N-ethoxy-4-hydroxypentanamide has a molecular weight of 161.20 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-hydroxypentanamide is sourced from PubChem (CID 79191769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).