7-methoxyheptanamide

C8H17NO2 — CID 87333587

IUPAC7-methoxyheptanamide
SMILESCOCCCCCCC(N)=O
InChIInChI=1S/C8H17NO2/c1-11-7-5-3-2-4-6-8(9)10/h2-7H2,1H3,(H2,9,10)
InChIKeyCQBMGQBXYYMZHE-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds7

About 7-methoxyheptanamide

7-methoxyheptanamide (PubChem CID 87333587) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 7-methoxyheptanamide.

Molecular Properties

Compound Name7-methoxyheptanamide
PubChem CID87333587
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name7-methoxyheptanamide
SMILESCOCCCCCCC(N)=O
InChIInChI=1S/C8H17NO2/c1-11-7-5-3-2-4-6-8(9)10/h2-7H2,1H3,(H2,9,10)
InChIKeyCQBMGQBXYYMZHE-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
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-methoxyheptanamide?
The IUPAC name of 7-methoxyheptanamide (CID 87333587) is 7-methoxyheptanamide.
What is the SMILES notation for 7-methoxyheptanamide?
The canonical SMILES for 7-methoxyheptanamide is COCCCCCCC(N)=O.
What is the InChIKey of 7-methoxyheptanamide?
The InChIKey is CQBMGQBXYYMZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-11-7-5-3-2-4-6-8(9)10/h2-7H2,1H3,(H2,9,10).
What are the key properties of 7-methoxyheptanamide?
7-methoxyheptanamide has a molecular weight of 159.23 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyheptanamide is sourced from PubChem (CID 87333587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).