2-ethyl-N-(3-formylphenyl)hexanamide

C15H21NO2 — CID 54554247

IUPAC2-ethyl-N-(3-formylphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C15H21NO2/c1-3-5-8-13(4-2)15(18)16-14-9-6-7-12(10-14)11-17/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyJUGOHJHZIIEYHV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.65
Rot. Bonds7

About 2-ethyl-N-(3-formylphenyl)hexanamide

2-ethyl-N-(3-formylphenyl)hexanamide (PubChem CID 54554247) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-ethyl-N-(3-formylphenyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-formylphenyl)hexanamide
PubChem CID54554247
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-ethyl-N-(3-formylphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C15H21NO2/c1-3-5-8-13(4-2)15(18)16-14-9-6-7-12(10-14)11-17/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyJUGOHJHZIIEYHV-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
2-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
5-amino-N-(3-aminophenyl)-2-ethylpentanamide
CID 164939498
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
CID 92767812
N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride
CID 68896503
N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
CID 19736343
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
(E)-3-[3-[2-(aminomethyl)butanoylamino]phenyl]prop-2-enoic acid
CID 115339673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-formylphenyl)hexanamide?
The IUPAC name of 2-ethyl-N-(3-formylphenyl)hexanamide (CID 54554247) is 2-ethyl-N-(3-formylphenyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(3-formylphenyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(3-formylphenyl)hexanamide is CCCCC(CC)C(=O)Nc1cccc(C=O)c1.
What is the InChIKey of 2-ethyl-N-(3-formylphenyl)hexanamide?
The InChIKey is JUGOHJHZIIEYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-5-8-13(4-2)15(18)16-14-9-6-7-12(10-14)11-17/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of 2-ethyl-N-(3-formylphenyl)hexanamide?
2-ethyl-N-(3-formylphenyl)hexanamide has a molecular weight of 247.34 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-formylphenyl)hexanamide is sourced from PubChem (CID 54554247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).