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

C18H21N3O2 — CID 6898897

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H21N3O2/c1-3-21(4-2)15-11-9-14(10-12-15)13-19-20-18(23)16-7-5-6-8-17(16)22/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
InChIKeyPTWUKNVXXAKRAZ-CPNJWEJPSA-N
MW311.39 g/mol
LogP3.00
Rot. Bonds6

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

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 6898897) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID6898897
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H21N3O2/c1-3-21(4-2)15-11-9-14(10-12-15)13-19-20-18(23)16-7-5-6-8-17(16)22/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
InChIKeyPTWUKNVXXAKRAZ-CPNJWEJPSA-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': 'hzone_anil_di_alk(35)', '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'-(1-Benzyl-4-piperidinylidene)-2-hydroxybenzohydrazide
CID 773952
n-(4-Carbamimidoyl-phenyl)-2-hydroxy-benzamide
CID 4301
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide (CID 6898897) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is PTWUKNVXXAKRAZ-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-21(4-2)15-11-9-14(10-12-15)13-19-20-18(23)16-7-5-6-8-17(16)22/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-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-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 6898897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).