N-(4-acetamidophenyl)hexanamide

C14H20N2O2 — CID 4953736

IUPACN-(4-acetamidophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-4-5-6-14(18)16-13-9-7-12(8-10-13)15-11(2)17/h7-10H,3-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBSDREDKKLSOGMC-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.16
Rot. Bonds6

About N-(4-acetamidophenyl)hexanamide

N-(4-acetamidophenyl)hexanamide (PubChem CID 4953736) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)hexanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)hexanamide
PubChem CID4953736
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-acetamidophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-4-5-6-14(18)16-13-9-7-12(8-10-13)15-11(2)17/h7-10H,3-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBSDREDKKLSOGMC-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(4-acetamidophenyl)sulfonylphenyl]decanamide
CID 3028150
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980
N-(4-ethenylphenyl)hexanamide
CID 132540479
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
N-(4-heptylphenyl)heptanamide
CID 101077737
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)hexanamide?
The IUPAC name of N-(4-acetamidophenyl)hexanamide (CID 4953736) is N-(4-acetamidophenyl)hexanamide.
What is the SMILES notation for N-(4-acetamidophenyl)hexanamide?
The canonical SMILES for N-(4-acetamidophenyl)hexanamide is CCCCCC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)hexanamide?
The InChIKey is BSDREDKKLSOGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-5-6-14(18)16-13-9-7-12(8-10-13)15-11(2)17/h7-10H,3-6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)hexanamide?
N-(4-acetamidophenyl)hexanamide has a molecular weight of 248.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)hexanamide is sourced from PubChem (CID 4953736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).