7-ethoxyheptanamide

C9H19NO2 — CID 91145527

IUPAC7-ethoxyheptanamide
SMILESCCOCCCCCCC(N)=O
InChIInChI=1S/C9H19NO2/c1-2-12-8-6-4-3-5-7-9(10)11/h2-8H2,1H3,(H2,10,11)
InChIKeyCRLXTRYMPKAPRG-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds8

About 7-ethoxyheptanamide

7-ethoxyheptanamide (PubChem CID 91145527) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 7-ethoxyheptanamide.

Molecular Properties

Compound Name7-ethoxyheptanamide
PubChem CID91145527
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name7-ethoxyheptanamide
SMILESCCOCCCCCCC(N)=O
InChIInChI=1S/C9H19NO2/c1-2-12-8-6-4-3-5-7-9(10)11/h2-8H2,1H3,(H2,10,11)
InChIKeyCRLXTRYMPKAPRG-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
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 7-ethoxyheptanamide?
The IUPAC name of 7-ethoxyheptanamide (CID 91145527) is 7-ethoxyheptanamide.
What is the SMILES notation for 7-ethoxyheptanamide?
The canonical SMILES for 7-ethoxyheptanamide is CCOCCCCCCC(N)=O.
What is the InChIKey of 7-ethoxyheptanamide?
The InChIKey is CRLXTRYMPKAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-12-8-6-4-3-5-7-9(10)11/h2-8H2,1H3,(H2,10,11).
What are the key properties of 7-ethoxyheptanamide?
7-ethoxyheptanamide has a molecular weight of 173.26 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxyheptanamide is sourced from PubChem (CID 91145527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).