2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide

C17H19N3O2 — CID 135683875

IUPAC2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1ccccc1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H19N3O2/c1-2-15(19-14-9-4-3-5-10-14)17(22)20-18-12-13-8-6-7-11-16(13)21/h3-12,15,19,21H,2H2,1H3,(H,20,22)/b18-12+
InChIKeyPNIHSNIPYOHWOE-LDADJPATSA-N
MW297.36 g/mol
LogP2.73
Rot. Bonds6

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

2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 135683875) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
PubChem CID135683875
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1ccccc1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H19N3O2/c1-2-15(19-14-9-4-3-5-10-14)17(22)20-18-12-13-8-6-7-11-16(13)21/h3-12,15,19,21H,2H2,1H3,(H,20,22)/b18-12+
InChIKeyPNIHSNIPYOHWOE-LDADJPATSA-N
XLogP2.73
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
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

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
4-[(2-hydroxybenzyl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 3595244
N-[(1E)-2-(2-hydroxyphenyl)-1-azaprop-1-enyl]-2-[(methylsulfonyl)phenylamino]a cetamide
CID 135519931
1-(4-fluorophenyl)-N'-(2-hydroxybenzylidene)-5-oxo-3-pyrrolidinecarbohydrazide
CID 135536624
4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
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
1,2-Dihydro-4-(((2-hydroxyphenyl)methylene)amino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 207856
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

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of 2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (CID 135683875) is 2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is CCC(Nc1ccccc1)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is PNIHSNIPYOHWOE-LDADJPATSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-15(19-14-9-4-3-5-10-14)17(22)20-18-12-13-8-6-7-11-16(13)21/h3-12,15,19,21H,2H2,1H3,(H,20,22)/b18-12+.
What are the key properties of 2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 297.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 135683875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).