2-ethoxy-N-heptylacetamide

C11H23NO2 — CID 4616582

IUPAC2-ethoxy-N-heptylacetamide
SMILESCCCCCCCNC(=O)COCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-12-11(13)10-14-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyLADXCIDGFHZSEG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds9

About 2-ethoxy-N-heptylacetamide

2-ethoxy-N-heptylacetamide (PubChem CID 4616582) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethoxy-N-heptylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-heptylacetamide
PubChem CID4616582
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethoxy-N-heptylacetamide
SMILESCCCCCCCNC(=O)COCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-12-11(13)10-14-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyLADXCIDGFHZSEG-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethoxy-N-heptylacetamide?
The IUPAC name of 2-ethoxy-N-heptylacetamide (CID 4616582) is 2-ethoxy-N-heptylacetamide.
What is the SMILES notation for 2-ethoxy-N-heptylacetamide?
The canonical SMILES for 2-ethoxy-N-heptylacetamide is CCCCCCCNC(=O)COCC.
What is the InChIKey of 2-ethoxy-N-heptylacetamide?
The InChIKey is LADXCIDGFHZSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-7-8-9-12-11(13)10-14-4-2/h3-10H2,1-2H3,(H,12,13).
What are the key properties of 2-ethoxy-N-heptylacetamide?
2-ethoxy-N-heptylacetamide has a molecular weight of 201.31 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-heptylacetamide is sourced from PubChem (CID 4616582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).