N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide

C24H31N3O3 — CID 6392223

IUPACN-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
SMILESCCCCC/C(=N\NC(=O)CCC(=O)Nc1ccc(OCC)cc1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-3-5-7-12-22(19-10-8-6-9-11-19)26-27-24(29)18-17-23(28)25-20-13-15-21(16-14-20)30-4-2/h6,8-11,13-16H,3-5,7,12,17-18H2,1-2H3,(H,25,28)(H,27,29)/b26-22+
InChIKeyLLVFZKSSZOGECM-XTCLZLMSSA-N
MW409.53 g/mol
LogP4.90
Rot. Bonds12

About N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide

N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide (PubChem CID 6392223) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
PubChem CID6392223
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
SMILESCCCCC/C(=N\NC(=O)CCC(=O)Nc1ccc(OCC)cc1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-3-5-7-12-22(19-10-8-6-9-11-19)26-27-24(29)18-17-23(28)25-20-13-15-21(16-14-20)30-4-2/h6,8-11,13-16H,3-5,7,12,17-18H2,1-2H3,(H,25,28)(H,27,29)/b26-22+
InChIKeyLLVFZKSSZOGECM-XTCLZLMSSA-N
XLogP4.90
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
N-(1-phenylpentylideneamino)octanamide
CID 4676930
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6104390
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide
CID 6122698
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide (CID 6392223) is N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide is CCCCC/C(=N\NC(=O)CCC(=O)Nc1ccc(OCC)cc1)c1ccccc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide?
The InChIKey is LLVFZKSSZOGECM-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-5-7-12-22(19-10-8-6-9-11-19)26-27-24(29)18-17-23(28)25-20-13-15-21(16-14-20)30-4-2/h6,8-11,13-16H,3-5,7,12,17-18H2,1-2H3,(H,25,28)(H,27,29)/b26-22+.
What are the key properties of N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide?
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide has a molecular weight of 409.53 g/mol, XLogP of 4.90, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide is sourced from PubChem (CID 6392223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).