N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide

C17H18N2O4 — CID 3632483

IUPACN-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCCOc1cccc(C=NNC(=O)c2ccccc2OC)c1O
InChIInChI=1S/C17H18N2O4/c1-3-23-15-10-6-7-12(16(15)20)11-18-19-17(21)13-8-4-5-9-14(13)22-2/h4-11,20H,3H2,1-2H3,(H,19,21)
InChIKeyBICKSQVKUUNZLO-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.56
Rot. Bonds6

About N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide

N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 3632483) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID3632483
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCCOc1cccc(C=NNC(=O)c2ccccc2OC)c1O
InChIInChI=1S/C17H18N2O4/c1-3-23-15-10-6-7-12(16(15)20)11-18-19-17(21)13-8-4-5-9-14(13)22-2/h4-11,20H,3H2,1-2H3,(H,19,21)
InChIKeyBICKSQVKUUNZLO-UHFFFAOYSA-N
XLogP2.56
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 136787439
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 139083037
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135554727
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 5056113

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide (CID 3632483) is N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide is CCOc1cccc(C=NNC(=O)c2ccccc2OC)c1O.
What is the InChIKey of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is BICKSQVKUUNZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-23-15-10-6-7-12(16(15)20)11-18-19-17(21)13-8-4-5-9-14(13)22-2/h4-11,20H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 3632483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).