N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide

C16H16N2O5 — CID 4570338

IUPACN-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
SMILESCCOc1ccccc1C=NNC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C16H16N2O5/c1-2-23-14-6-4-3-5-10(14)9-17-18-16(22)11-7-12(19)15(21)13(20)8-11/h3-9,19-21H,2H2,1H3,(H,18,22)
InChIKeyRVDOGIQBFYCJGU-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.97
Rot. Bonds5

About N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide

N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide (PubChem CID 4570338) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
PubChem CID4570338
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
SMILESCCOc1ccccc1C=NNC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C16H16N2O5/c1-2-23-14-6-4-3-5-10(14)9-17-18-16(22)11-7-12(19)15(21)13(20)8-11/h3-9,19-21H,2H2,1H3,(H,18,22)
InChIKeyRVDOGIQBFYCJGU-UHFFFAOYSA-N
XLogP1.97
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5416925
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide
CID 135688471
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893654

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide (CID 4570338) is N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide is CCOc1ccccc1C=NNC(=O)c1cc(O)c(O)c(O)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide?
The InChIKey is RVDOGIQBFYCJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-2-23-14-6-4-3-5-10(14)9-17-18-16(22)11-7-12(19)15(21)13(20)8-11/h3-9,19-21H,2H2,1H3,(H,18,22).
What are the key properties of N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide?
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide has a molecular weight of 316.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide is sourced from PubChem (CID 4570338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).