N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide

C23H29ClN2O2 — CID 91972462

IUPACN-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C(\C)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H29ClN2O2/c1-3-4-5-6-7-8-23(27)26-25-18(2)20-11-15-22(16-12-20)28-17-19-9-13-21(24)14-10-19/h9-16H,3-8,17H2,1-2H3,(H,26,27)/b25-18+
InChIKeyKTDAOYOKTQXCAT-XIEYBQDHSA-N
MW400.95 g/mol
LogP6.12
Rot. Bonds11

About N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide

N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide (PubChem CID 91972462) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide.

Molecular Properties

Compound NameN-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide
PubChem CID91972462
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC NameN-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C(\C)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H29ClN2O2/c1-3-4-5-6-7-8-23(27)26-25-18(2)20-11-15-22(16-12-20)28-17-19-9-13-21(24)14-10-19/h9-16H,3-8,17H2,1-2H3,(H,26,27)/b25-18+
InChIKeyKTDAOYOKTQXCAT-XIEYBQDHSA-N
XLogP6.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide
CID 124890840
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
4-chloro-N-[4-[N-(hexanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5075525
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3553870
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
CID 3720428

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide?
The IUPAC name of N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide (CID 91972462) is N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide.
What is the SMILES notation for N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide?
The canonical SMILES for N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide is CCCCCCCC(=O)N/N=C(\C)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide?
The InChIKey is KTDAOYOKTQXCAT-XIEYBQDHSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-3-4-5-6-7-8-23(27)26-25-18(2)20-11-15-22(16-12-20)28-17-19-9-13-21(24)14-10-19/h9-16H,3-8,17H2,1-2H3,(H,26,27)/b25-18+.
What are the key properties of N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide?
N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide has a molecular weight of 400.95 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide is sourced from PubChem (CID 91972462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).