N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide

C16H16N2O4 — CID 135738429

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16N2O4/c1-10(14-8-5-12(19)9-15(14)20)17-18-16(21)11-3-6-13(22-2)7-4-11/h3-9,19-20H,1-2H3,(H,18,21)/b17-10+
InChIKeyUUBIMJAWAPPABZ-LICLKQGHSA-N
MW300.31 g/mol
LogP2.26
Rot. Bonds4

About N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide (PubChem CID 135738429) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
PubChem CID135738429
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16N2O4/c1-10(14-8-5-12(19)9-15(14)20)17-18-16(21)11-3-6-13(22-2)7-4-11/h3-9,19-20H,1-2H3,(H,18,21)/b17-10+
InChIKeyUUBIMJAWAPPABZ-LICLKQGHSA-N
XLogP2.26
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 4047183
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 135858074
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]benzamide
CID 135752121
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
3-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 135418721
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]benzamide
CID 136772575

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide (CID 135738429) is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide?
The InChIKey is UUBIMJAWAPPABZ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10(14-8-5-12(19)9-15(14)20)17-18-16(21)11-3-6-13(22-2)7-4-11/h3-9,19-20H,1-2H3,(H,18,21)/b17-10+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide?
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide has a molecular weight of 300.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 135738429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).