N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide

C18H21N3O2 — CID 5410903

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13-
InChIKeyWLKOCYWYAWBGKY-UYRXBGFRSA-N
MW311.39 g/mol
LogP3.00
Rot. Bonds6

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 5410903) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID5410903
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13-
InChIKeyWLKOCYWYAWBGKY-UYRXBGFRSA-N
XLogP3.00
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.00
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
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
N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647559
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
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
CID 164880540
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide
CID 2378017

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide (CID 5410903) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide is CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is WLKOCYWYAWBGKY-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 311.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 5410903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).