N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide

C16H17N3O2 — CID 17337861

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(N)cc1
InChIInChI=1S/C16H17N3O2/c1-10-4-3-5-14(15(10)20)16(21)19-18-11(2)12-6-8-13(17)9-7-12/h3-9,20H,17H2,1-2H3,(H,19,21)/b18-11+
InChIKeyHEYJXDNEWAPBFG-WOJGMQOQSA-N
MW283.33 g/mol
LogP2.44
Rot. Bonds3

About N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide (PubChem CID 17337861) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
PubChem CID17337861
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(N)cc1
InChIInChI=1S/C16H17N3O2/c1-10-4-3-5-14(15(10)20)16(21)19-18-11(2)12-6-8-13(17)9-7-12/h3-9,20H,17H2,1-2H3,(H,19,21)/b18-11+
InChIKeyHEYJXDNEWAPBFG-WOJGMQOQSA-N
XLogP2.44
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone
CID 172953941
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 137138457
2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 17126801
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 21370947
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
CID 27511302

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide (CID 17337861) is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide is C/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide?
The InChIKey is HEYJXDNEWAPBFG-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-4-3-5-14(15(10)20)16(21)19-18-11(2)12-6-8-13(17)9-7-12/h3-9,20H,17H2,1-2H3,(H,19,21)/b18-11+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 17337861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).