4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide

C22H28N2O4 — CID 17373127

IUPAC4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-4-6-7-14-28-20-13-8-17(15-21(20)26-3)16-23-24-22(25)18-9-11-19(12-10-18)27-5-2/h8-13,15-16H,4-7,14H2,1-3H3,(H,24,25)/b23-16+
InChIKeyOOSKCDUAXJXLFK-XQNSMLJCSA-N
MW384.48 g/mol
LogP4.43
Rot. Bonds11

About 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide

4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide (PubChem CID 17373127) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
PubChem CID17373127
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-4-6-7-14-28-20-13-8-17(15-21(20)26-3)16-23-24-22(25)18-9-11-19(12-10-18)27-5-2/h8-13,15-16H,4-7,14H2,1-3H3,(H,24,25)/b23-16+
InChIKeyOOSKCDUAXJXLFK-XQNSMLJCSA-N
XLogP4.43
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-butyl-N-[(E)-(3-methoxy-4-octoxyphenyl)methylideneamino]benzamide
CID 124551504
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509384
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 6166221
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 4061810
4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide (CID 17373127) is 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide is CCCCCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide?
The InChIKey is OOSKCDUAXJXLFK-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-6-7-14-28-20-13-8-17(15-21(20)26-3)16-23-24-22(25)18-9-11-19(12-10-18)27-5-2/h8-13,15-16H,4-7,14H2,1-3H3,(H,24,25)/b23-16+.
What are the key properties of 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide?
4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 17373127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).