6-phenylmethoxyhexanamide

C13H19NO2 — CID 11564808

IUPAC6-phenylmethoxyhexanamide
SMILESNC(=O)CCCCCOCc1ccccc1
InChIInChI=1S/C13H19NO2/c14-13(15)9-5-2-6-10-16-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,14,15)
InChIKeyGBWGZCXLQLUSSK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds8

About 6-phenylmethoxyhexanamide

6-phenylmethoxyhexanamide (PubChem CID 11564808) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-phenylmethoxyhexanamide.

Molecular Properties

Compound Name6-phenylmethoxyhexanamide
PubChem CID11564808
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6-phenylmethoxyhexanamide
SMILESNC(=O)CCCCCOCc1ccccc1
InChIInChI=1S/C13H19NO2/c14-13(15)9-5-2-6-10-16-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,14,15)
InChIKeyGBWGZCXLQLUSSK-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.25
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 6-phenylmethoxyhexanamide?
The IUPAC name of 6-phenylmethoxyhexanamide (CID 11564808) is 6-phenylmethoxyhexanamide.
What is the SMILES notation for 6-phenylmethoxyhexanamide?
The canonical SMILES for 6-phenylmethoxyhexanamide is NC(=O)CCCCCOCc1ccccc1.
What is the InChIKey of 6-phenylmethoxyhexanamide?
The InChIKey is GBWGZCXLQLUSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-13(15)9-5-2-6-10-16-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,14,15).
What are the key properties of 6-phenylmethoxyhexanamide?
6-phenylmethoxyhexanamide has a molecular weight of 221.30 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxyhexanamide is sourced from PubChem (CID 11564808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).