N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide

C18H21N3O3 — CID 135472454

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C18H21N3O3/c1-3-21(4-2)14-10-9-13(17(23)11-14)12-19-20-18(24)15-7-5-6-8-16(15)22/h5-12,22-23H,3-4H2,1-2H3,(H,20,24)/b19-12+
InChIKeyFBNFORURTIUHBF-XDHOZWIPSA-N
MW327.38 g/mol
LogP2.71
Rot. Bonds6

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 135472454) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID135472454
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C18H21N3O3/c1-3-21(4-2)14-10-9-13(17(23)11-14)12-19-20-18(24)15-7-5-6-8-16(15)22/h5-12,22-23H,3-4H2,1-2H3,(H,20,24)/b19-12+
InChIKeyFBNFORURTIUHBF-XDHOZWIPSA-N
XLogP2.71
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gsk-9089
CID 5497124
Acyl Hydrazone, 10
CID 11404599
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
4-(4-(Dimethylamino)benzylideneamino)salicylic acid
CID 2725143
Benzylidenehydrazine derivative, 13
CID 135922678
N-(4-Dimethylamino-phenyl)-3-[(2-hydroxy-benzoyl)-hydrazono]-butyramide
CID 9592148
2-oxidanyl-N-[(E)-1-[4-(2-phenylethanoylamino)phenyl]ethylideneamino]benzamide
CID 25237596
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-nitrobenzohydrazide
CID 135400305
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide (CID 135472454) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is FBNFORURTIUHBF-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-21(4-2)14-10-9-13(17(23)11-14)12-19-20-18(24)15-7-5-6-8-16(15)22/h5-12,22-23H,3-4H2,1-2H3,(H,20,24)/b19-12+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135472454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).