4-ethoxy-N-(1-phenylpentylideneamino)benzamide

C20H24N2O2 — CID 5197608

IUPAC4-ethoxy-N-(1-phenylpentylideneamino)benzamide
SMILESCCCCC(=NNC(=O)c1ccc(OCC)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-5-11-19(16-9-7-6-8-10-16)21-22-20(23)17-12-14-18(15-13-17)24-4-2/h6-10,12-15H,3-5,11H2,1-2H3,(H,22,23)
InChIKeyKJURJSZHLWONQR-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.41
Rot. Bonds8

About 4-ethoxy-N-(1-phenylpentylideneamino)benzamide

4-ethoxy-N-(1-phenylpentylideneamino)benzamide (PubChem CID 5197608) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-ethoxy-N-(1-phenylpentylideneamino)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-phenylpentylideneamino)benzamide
PubChem CID5197608
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-ethoxy-N-(1-phenylpentylideneamino)benzamide
SMILESCCCCC(=NNC(=O)c1ccc(OCC)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-5-11-19(16-9-7-6-8-10-16)21-22-20(23)17-12-14-18(15-13-17)24-4-2/h6-10,12-15H,3-5,11H2,1-2H3,(H,22,23)
InChIKeyKJURJSZHLWONQR-UHFFFAOYSA-N
XLogP4.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
CID 6234100
N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide
CID 6001763
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-phenylpentylideneamino)benzamide?
The IUPAC name of 4-ethoxy-N-(1-phenylpentylideneamino)benzamide (CID 5197608) is 4-ethoxy-N-(1-phenylpentylideneamino)benzamide.
What is the SMILES notation for 4-ethoxy-N-(1-phenylpentylideneamino)benzamide?
The canonical SMILES for 4-ethoxy-N-(1-phenylpentylideneamino)benzamide is CCCCC(=NNC(=O)c1ccc(OCC)cc1)c1ccccc1.
What is the InChIKey of 4-ethoxy-N-(1-phenylpentylideneamino)benzamide?
The InChIKey is KJURJSZHLWONQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-5-11-19(16-9-7-6-8-10-16)21-22-20(23)17-12-14-18(15-13-17)24-4-2/h6-10,12-15H,3-5,11H2,1-2H3,(H,22,23).
What are the key properties of 4-ethoxy-N-(1-phenylpentylideneamino)benzamide?
4-ethoxy-N-(1-phenylpentylideneamino)benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-phenylpentylideneamino)benzamide is sourced from PubChem (CID 5197608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).