N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide

C20H25N3O2 — CID 170647545

IUPACN-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCCCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-3-5-14-23(4-2)18-10-6-16(7-11-18)15-21-22-20(25)17-8-12-19(24)13-9-17/h6-13,15,24H,3-5,14H2,1-2H3,(H,22,25)/b21-15+
InChIKeyXVILYVUAVLSPHL-RCCKNPSSSA-N
MW339.44 g/mol
LogP3.78
Rot. Bonds8

About N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide

N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 170647545) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID170647545
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCCCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-3-5-14-23(4-2)18-10-6-16(7-11-18)15-21-22-20(25)17-8-12-19(24)13-9-17/h6-13,15,24H,3-5,14H2,1-2H3,(H,22,25)/b21-15+
InChIKeyXVILYVUAVLSPHL-RCCKNPSSSA-N
XLogP3.78
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.78
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-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647559
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
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-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
CID 164880540
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide (CID 170647545) is N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide is CCCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is XVILYVUAVLSPHL-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-5-14-23(4-2)18-10-6-16(7-11-18)15-21-22-20(25)17-8-12-19(24)13-9-17/h6-13,15,24H,3-5,14H2,1-2H3,(H,22,25)/b21-15+.
What are the key properties of N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 170647545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).