4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide

C29H34N2O4 — CID 4541932

IUPAC4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide
SMILESCCCCCCOc1ccc(C=NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C29H34N2O4/c1-3-5-6-7-20-34-27-14-10-23(11-15-27)21-30-31-29(32)25-12-8-24(9-13-25)22-35-28-18-16-26(17-19-28)33-4-2/h8-19,21H,3-7,20,22H2,1-2H3,(H,31,32)
InChIKeyFXBAOSLFCLRHDM-UHFFFAOYSA-N
MW474.60 g/mol
LogP6.39
Rot. Bonds14

About 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide

4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide (PubChem CID 4541932) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide
PubChem CID4541932
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide
SMILESCCCCCCOc1ccc(C=NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C29H34N2O4/c1-3-5-6-7-20-34-27-14-10-23(11-15-27)21-30-31-29(32)25-12-8-24(9-13-25)22-35-28-18-16-26(17-19-28)33-4-2/h8-19,21H,3-7,20,22H2,1-2H3,(H,31,32)
InChIKeyFXBAOSLFCLRHDM-UHFFFAOYSA-N
XLogP6.39
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.39
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-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 3994710
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-butoxy-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 45054795
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367
[4-[(E)-[[4-[(4-decoxyphenyl)methoxy]benzoyl]hydrazinylidene]methyl]-3-hydroxyphenyl] 4-octoxybenzoate
CID 177476495
4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide (CID 4541932) is 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide is CCCCCCOc1ccc(C=NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide?
The InChIKey is FXBAOSLFCLRHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-3-5-6-7-20-34-27-14-10-23(11-15-27)21-30-31-29(32)25-12-8-24(9-13-25)22-35-28-18-16-26(17-19-28)33-4-2/h8-19,21H,3-7,20,22H2,1-2H3,(H,31,32).
What are the key properties of 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide?
4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide has a molecular weight of 474.60 g/mol, XLogP of 6.39, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4541932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).