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

C19H23N3O2 — CID 135688235

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C)cc2)c(O)c1
InChIInChI=1S/C19H23N3O2/c1-4-22(5-2)17-11-10-16(18(23)12-17)13-20-21-19(24)15-8-6-14(3)7-9-15/h6-13,23H,4-5H2,1-3H3,(H,21,24)/b20-13+
InChIKeyVXZQGCBPFIYGKS-DEDYPNTBSA-N
MW325.41 g/mol
LogP3.31
Rot. Bonds6

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

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide (PubChem CID 135688235) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide
PubChem CID135688235
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C)cc2)c(O)c1
InChIInChI=1S/C19H23N3O2/c1-4-22(5-2)17-11-10-16(18(23)12-17)13-20-21-19(24)15-8-6-14(3)7-9-15/h6-13,23H,4-5H2,1-3H3,(H,21,24)/b20-13+
InChIKeyVXZQGCBPFIYGKS-DEDYPNTBSA-N
XLogP3.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

Gsk-9089
CID 5497124
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
Acyl Hydrazone, 10
CID 11404599
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6906421
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
Benzylidenehydrazine derivative, 13
CID 135922678
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]-4-methylbenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide (CID 135688235) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C)cc2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide?
The InChIKey is VXZQGCBPFIYGKS-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-22(5-2)17-11-10-16(18(23)12-17)13-20-21-19(24)15-8-6-14(3)7-9-15/h6-13,23H,4-5H2,1-3H3,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 135688235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).