N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide

C16H16N2O3 — CID 135673755

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16N2O3/c1-2-11-3-5-12(6-4-11)16(21)18-17-10-13-7-8-14(19)9-15(13)20/h3-10,19-20H,2H2,1H3,(H,18,21)/b17-10+
InChIKeyNUGOMTSVUCOSOM-LICLKQGHSA-N
MW284.32 g/mol
LogP2.42
Rot. Bonds4

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide (PubChem CID 135673755) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
PubChem CID135673755
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16N2O3/c1-2-11-3-5-12(6-4-11)16(21)18-17-10-13-7-8-14(19)9-15(13)20/h3-10,19-20H,2H2,1H3,(H,18,21)/b17-10+
InChIKeyNUGOMTSVUCOSOM-LICLKQGHSA-N
XLogP2.42
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168015
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
CID 136863468
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 135533865
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide
CID 137037301
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
4-bromo-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135504175
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide (CID 135673755) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide is CCc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide?
The InChIKey is NUGOMTSVUCOSOM-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-11-3-5-12(6-4-11)16(21)18-17-10-13-7-8-14(19)9-15(13)20/h3-10,19-20H,2H2,1H3,(H,18,21)/b17-10+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide has a molecular weight of 284.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide is sourced from PubChem (CID 135673755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).