N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide

C22H28N2O — CID 6163036

IUPACN-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C(\C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O/c1-3-4-5-6-10-13-22(25)24-23-18(2)19-14-16-21(17-15-19)20-11-8-7-9-12-20/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H,24,25)/b23-18+
InChIKeyHZKKTXRSLZGOPG-PTGBLXJZSA-N
MW336.48 g/mol
LogP5.55
Rot. Bonds9

About N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide

N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide (PubChem CID 6163036) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide.

Molecular Properties

Compound NameN-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
PubChem CID6163036
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C(\C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O/c1-3-4-5-6-10-13-22(25)24-23-18(2)19-14-16-21(17-15-19)20-11-8-7-9-12-20/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H,24,25)/b23-18+
InChIKeyHZKKTXRSLZGOPG-PTGBLXJZSA-N
XLogP5.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
5-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-5-oxopentanoic acid
CID 6155679
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide?
The IUPAC name of N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide (CID 6163036) is N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide.
What is the SMILES notation for N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide?
The canonical SMILES for N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide is CCCCCCCC(=O)N/N=C(\C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide?
The InChIKey is HZKKTXRSLZGOPG-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-4-5-6-10-13-22(25)24-23-18(2)19-14-16-21(17-15-19)20-11-8-7-9-12-20/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H,24,25)/b23-18+.
What are the key properties of N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide?
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide has a molecular weight of 336.48 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide is sourced from PubChem (CID 6163036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).