N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide

C16H16N2O4 — CID 136671572

IUPACN-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-2-22-13-6-4-12(5-7-13)16(21)18-17-10-11-3-8-14(19)15(20)9-11/h3-10,19-20H,2H2,1H3,(H,18,21)/b17-10-
InChIKeyKGHRNVSWBHEVGH-YVLHZVERSA-N
MW300.31 g/mol
LogP2.26
Rot. Bonds5

About N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide

N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide (PubChem CID 136671572) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
PubChem CID136671572
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-2-22-13-6-4-12(5-7-13)16(21)18-17-10-11-3-8-14(19)15(20)9-11/h3-10,19-20H,2H2,1H3,(H,18,21)/b17-10-
InChIKeyKGHRNVSWBHEVGH-YVLHZVERSA-N
XLogP2.26
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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)-(3,4-dihydroxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 135982579
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136700737
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(E)-(3,4-dihydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577251
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 923419

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide (CID 136671572) is N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(O)c2)cc1.
What is the InChIKey of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide?
The InChIKey is KGHRNVSWBHEVGH-YVLHZVERSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-22-13-6-4-12(5-7-13)16(21)18-17-10-11-3-8-14(19)15(20)9-11/h3-10,19-20H,2H2,1H3,(H,18,21)/b17-10-.
What are the key properties of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide?
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide has a molecular weight of 300.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 136671572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).