2-(3-formylphenoxy)octanamide

C15H21NO3 — CID 123140389

IUPAC2-(3-formylphenoxy)octanamide
SMILESCCCCCCC(Oc1cccc(C=O)c1)C(N)=O
InChIInChI=1S/C15H21NO3/c1-2-3-4-5-9-14(15(16)18)19-13-8-6-7-12(10-13)11-17/h6-8,10-11,14H,2-5,9H2,1H3,(H2,16,18)
InChIKeyTZRDKXWRKHAZSL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds9

About 2-(3-formylphenoxy)octanamide

2-(3-formylphenoxy)octanamide (PubChem CID 123140389) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-formylphenoxy)octanamide.

Molecular Properties

Compound Name2-(3-formylphenoxy)octanamide
PubChem CID123140389
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(3-formylphenoxy)octanamide
SMILESCCCCCCC(Oc1cccc(C=O)c1)C(N)=O
InChIInChI=1S/C15H21NO3/c1-2-3-4-5-9-14(15(16)18)19-13-8-6-7-12(10-13)11-17/h6-8,10-11,14H,2-5,9H2,1H3,(H2,16,18)
InChIKeyTZRDKXWRKHAZSL-UHFFFAOYSA-N
XLogP2.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-fluorophenoxy)octanamide
CID 175719063
1,3-dioxopropan-2-yl 2-phenoxydecanoate
CID 141224781
ethyl 2-phenoxydecanoate
CID 101000092
3-hex-1-en-3-yloxybenzaldehyde
CID 73229567
3-butoxybenzaldehyde;ethane
CID 91380350
2-phenoxyhexadecanethioic S-acid
CID 142789333
potassium 2-phenoxyundecanoate
CID 70350230
sodium 2-phenoxyoctadecanoate
CID 141463853
2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
CID 43112275
ethyl 2-(3-nitrophenoxy)tetradecanoate
CID 14122414
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
[(2S)-6-(3-formylphenoxy)-2-hydroxyhexyl] butanoate
CID 71426842

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenoxy)octanamide?
The IUPAC name of 2-(3-formylphenoxy)octanamide (CID 123140389) is 2-(3-formylphenoxy)octanamide.
What is the SMILES notation for 2-(3-formylphenoxy)octanamide?
The canonical SMILES for 2-(3-formylphenoxy)octanamide is CCCCCCC(Oc1cccc(C=O)c1)C(N)=O.
What is the InChIKey of 2-(3-formylphenoxy)octanamide?
The InChIKey is TZRDKXWRKHAZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-4-5-9-14(15(16)18)19-13-8-6-7-12(10-13)11-17/h6-8,10-11,14H,2-5,9H2,1H3,(H2,16,18).
What are the key properties of 2-(3-formylphenoxy)octanamide?
2-(3-formylphenoxy)octanamide has a molecular weight of 263.34 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenoxy)octanamide is sourced from PubChem (CID 123140389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).