2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

C15H15N3O2 — CID 135641149

IUPAC2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H15N3O2/c19-14-8-6-12(7-9-14)10-17-18-15(20)11-16-13-4-2-1-3-5-13/h1-10,16,19H,11H2,(H,18,20)/b17-10+
InChIKeyJWMYICMTBTWFGF-LICLKQGHSA-N
MW269.30 g/mol
LogP1.95
Rot. Bonds5

About 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135641149) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135641149
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H15N3O2/c19-14-8-6-12(7-9-14)10-17-18-15(20)11-16-13-4-2-1-3-5-13/h1-10,16,19H,11H2,(H,18,20)/b17-10+
InChIKeyJWMYICMTBTWFGF-LICLKQGHSA-N
XLogP1.95
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-Phenyl-N'-(4-hydroxybenzylidene) hydrazine
CID 135519945
2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135625972
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
L-Tyrosine, [[4-[bis(2-chloroethyl)amino]phenyl]methylene]hydrazide
CID 256179
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N'-(3-allyl-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135425036
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135439753
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135517103

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 135641149) is 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is O=C(CNc1ccccc1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is JWMYICMTBTWFGF-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14-8-6-12(7-9-14)10-17-18-15(20)11-16-13-4-2-1-3-5-13/h1-10,16,19H,11H2,(H,18,20)/b17-10+.
What are the key properties of 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 269.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135641149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).