N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide

C20H18N2O3 — CID 135738394

IUPACN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1O
InChIInChI=1S/C20H18N2O3/c1-2-25-18-12-6-9-15(19(18)23)13-21-22-20(24)17-11-5-8-14-7-3-4-10-16(14)17/h3-13,23H,2H2,1H3,(H,22,24)/b21-13+
InChIKeyLRFDSKRSLIKOPU-FYJGNVAPSA-N
MW334.38 g/mol
LogP3.71
Rot. Bonds5

About N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide

N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 135738394) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID135738394
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1O
InChIInChI=1S/C20H18N2O3/c1-2-25-18-12-6-9-15(19(18)23)13-21-22-20(24)17-11-5-8-14-7-3-4-10-16(14)17/h3-13,23H,2H2,1H3,(H,22,24)/b21-13+
InChIKeyLRFDSKRSLIKOPU-FYJGNVAPSA-N
XLogP3.71
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
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
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722845
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135554727
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
CID 135794969

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide (CID 135738394) is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide is CCOc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is LRFDSKRSLIKOPU-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-25-18-12-6-9-15(19(18)23)13-21-22-20(24)17-11-5-8-14-7-3-4-10-16(14)17/h3-13,23H,2H2,1H3,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 135738394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).