N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide

C22H29N3O2 — CID 170647559

IUPACN-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCCCCN(CCCC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-5-15-25(16-6-4-2)20-11-7-18(8-12-20)17-23-24-22(27)19-9-13-21(26)14-10-19/h7-14,17,26H,3-6,15-16H2,1-2H3,(H,24,27)/b23-17+
InChIKeyQQCSSYQCOFFOKB-HAVVHWLPSA-N
MW367.49 g/mol
LogP4.56
Rot. Bonds10

About N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide

N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 170647559) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID170647559
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCCCCN(CCCC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-5-15-25(16-6-4-2)20-11-7-18(8-12-20)17-23-24-22(27)19-9-13-21(26)14-10-19/h7-14,17,26H,3-6,15-16H2,1-2H3,(H,24,27)/b23-17+
InChIKeyQQCSSYQCOFFOKB-HAVVHWLPSA-N
XLogP4.56
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647545
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide (CID 170647559) is N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide is CCCCN(CCCC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is QQCSSYQCOFFOKB-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-5-15-25(16-6-4-2)20-11-7-18(8-12-20)17-23-24-22(27)19-9-13-21(26)14-10-19/h7-14,17,26H,3-6,15-16H2,1-2H3,(H,24,27)/b23-17+.
What are the key properties of N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 170647559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).