ethyl 6-acetamidohexanoate

C10H19NO3 — CID 15881002

IUPACethyl 6-acetamidohexanoate
SMILESCCOC(=O)CCCCCNC(C)=O
InChIInChI=1S/C10H19NO3/c1-3-14-10(13)7-5-4-6-8-11-9(2)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyODXLOYQHKJWSFW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.25
Rot. Bonds7

About ethyl 6-acetamidohexanoate

ethyl 6-acetamidohexanoate (PubChem CID 15881002) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 6-acetamidohexanoate.

Molecular Properties

Compound Nameethyl 6-acetamidohexanoate
PubChem CID15881002
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 6-acetamidohexanoate
SMILESCCOC(=O)CCCCCNC(C)=O
InChIInChI=1S/C10H19NO3/c1-3-14-10(13)7-5-4-6-8-11-9(2)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyODXLOYQHKJWSFW-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 6-acetamidohexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetamidohexanoate?
The IUPAC name of ethyl 6-acetamidohexanoate (CID 15881002) is ethyl 6-acetamidohexanoate.
What is the SMILES notation for ethyl 6-acetamidohexanoate?
The canonical SMILES for ethyl 6-acetamidohexanoate is CCOC(=O)CCCCCNC(C)=O.
What is the InChIKey of ethyl 6-acetamidohexanoate?
The InChIKey is ODXLOYQHKJWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-14-10(13)7-5-4-6-8-11-9(2)12/h3-8H2,1-2H3,(H,11,12).
What are the key properties of ethyl 6-acetamidohexanoate?
ethyl 6-acetamidohexanoate has a molecular weight of 201.27 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetamidohexanoate is sourced from PubChem (CID 15881002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).