N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide

C16H17N3O2 — CID 5373879

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)13-9-7-12(8-10-13)11-17-18-16(21)14-5-3-4-6-15(14)20/h3-11,20H,1-2H3,(H,18,21)/b17-11-
InChIKeyBAFLYEAZPNXJML-BOPFTXTBSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds4

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 5373879) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID5373879
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)13-9-7-12(8-10-13)11-17-18-16(21)14-5-3-4-6-15(14)20/h3-11,20H,1-2H3,(H,18,21)/b17-11-
InChIKeyBAFLYEAZPNXJML-BOPFTXTBSA-N
XLogP2.22
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.22
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

Chel 180
CID 135445765
Gsk-9089
CID 5497124
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
Acyl Hydrazone, 10
CID 11404599
3-(4-(Dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 5331296
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
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide (CID 5373879) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide is CN(C)c1ccc(/C=N\NC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is BAFLYEAZPNXJML-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)13-9-7-12(8-10-13)11-17-18-16(21)14-5-3-4-6-15(14)20/h3-11,20H,1-2H3,(H,18,21)/b17-11-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5373879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).