2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide

C17H18N2O3 — CID 101344836

IUPAC2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
SMILESCOc1ccc(/C=N/CCNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O3/c1-22-14-8-6-13(7-9-14)12-18-10-11-19-17(21)15-4-2-3-5-16(15)20/h2-9,12,20H,10-11H2,1H3,(H,19,21)/b18-12+
InChIKeyHDLPPQOPKWNKTH-LDADJPATSA-N
MW298.34 g/mol
LogP2.25
Rot. Bonds6

About 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide

2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide (PubChem CID 101344836) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
PubChem CID101344836
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
SMILESCOc1ccc(/C=N/CCNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O3/c1-22-14-8-6-13(7-9-14)12-18-10-11-19-17(21)15-4-2-3-5-16(15)20/h2-9,12,20H,10-11H2,1H3,(H,19,21)/b18-12+
InChIKeyHDLPPQOPKWNKTH-LDADJPATSA-N
XLogP2.25
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate
CID 136719139
N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 3365484
2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
CID 740401
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
N-[2-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111182793
2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese
CID 67559134
bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)
CID 135752302
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide
CID 70606724
copper;bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);dihydroxide
CID 135607660
bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide
CID 5152251

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide (CID 101344836) is 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide is COc1ccc(/C=N/CCNC(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide?
The InChIKey is HDLPPQOPKWNKTH-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-14-8-6-13(7-9-14)12-18-10-11-19-17(21)15-4-2-3-5-16(15)20/h2-9,12,20H,10-11H2,1H3,(H,19,21)/b18-12+.
What are the key properties of 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide?
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide is sourced from PubChem (CID 101344836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).