N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

C21H20N2O4 — CID 135533021

IUPACN-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(O)c1
InChIInChI=1S/C21H20N2O4/c1-3-27-17-9-8-16(19(24)12-17)13-22-23-21(25)18-10-14-6-4-5-7-15(14)11-20(18)26-2/h4-13,24H,3H2,1-2H3,(H,23,25)/b22-13+
InChIKeyFDEZVFVGMMDVNX-LPYMAVHISA-N
MW364.40 g/mol
LogP3.72
Rot. Bonds6

About N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 135533021) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID135533021
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(O)c1
InChIInChI=1S/C21H20N2O4/c1-3-27-17-9-8-16(19(24)12-17)13-22-23-21(25)18-10-14-6-4-5-7-15(14)11-20(18)26-2/h4-13,24H,3H2,1-2H3,(H,23,25)/b22-13+
InChIKeyFDEZVFVGMMDVNX-LPYMAVHISA-N
XLogP3.72
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.72
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-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 135998435
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(Z)-[2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378322
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 5457641
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376714
N-[(2-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 2306154

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 135533021) is N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(O)c1.
What is the InChIKey of N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is FDEZVFVGMMDVNX-LPYMAVHISA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-27-17-9-8-16(19(24)12-17)13-22-23-21(25)18-10-14-6-4-5-7-15(14)11-20(18)26-2/h4-13,24H,3H2,1-2H3,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 135533021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).