N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide

C26H36N2O3 — CID 3351099

IUPACN-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCCCCC)cc2)cc1
InChIInChI=1S/C26H36N2O3/c1-3-5-7-9-11-25(29)27-21-13-17-23(18-14-21)31-24-19-15-22(16-20-24)28-26(30)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyNJSCNDSJGSISSL-UHFFFAOYSA-N
MW424.59 g/mol
LogP7.30
Rot. Bonds14

About N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide

N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide (PubChem CID 3351099) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide.

Molecular Properties

Compound NameN-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
PubChem CID3351099
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCCCCC)cc2)cc1
InChIInChI=1S/C26H36N2O3/c1-3-5-7-9-11-25(29)27-21-13-17-23(18-14-21)31-24-19-15-22(16-20-24)28-26(30)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyNJSCNDSJGSISSL-UHFFFAOYSA-N
XLogP7.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-acetamidophenyl)hexanamide
CID 4953736
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-phenylpentacosanamide
CID 19025260
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-phenylheptatetracontanamide
CID 150503307
N-(4-decoxyphenyl)butanamide
CID 143303175
butyl 4-(decanoylamino)benzoate
CID 3404776
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-(4-heptylphenyl)heptanamide
CID 101077737

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide?
The IUPAC name of N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide (CID 3351099) is N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide.
What is the SMILES notation for N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide?
The canonical SMILES for N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCCCCC)cc2)cc1.
What is the InChIKey of N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide?
The InChIKey is NJSCNDSJGSISSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-3-5-7-9-11-25(29)27-21-13-17-23(18-14-21)31-24-19-15-22(16-20-24)28-26(30)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide?
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide has a molecular weight of 424.59 g/mol, XLogP of 7.30, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide is sourced from PubChem (CID 3351099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).