N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

C20H22N2O3 — CID 136627448

IUPACN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(O)cc1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-9-18(23)10-7-15)21-22-20(24)13-25-19-11-8-16-4-2-3-5-17(16)12-19/h6-12,23H,2-5,13H2,1H3,(H,22,24)/b21-14+
InChIKeyGSXSNOXYIHPZFI-KGENOOAVSA-N
MW338.41 g/mol
LogP3.19
Rot. Bonds5

About N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (PubChem CID 136627448) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
PubChem CID136627448
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(O)cc1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-9-18(23)10-7-15)21-22-20(24)13-25-19-11-8-16-4-2-3-5-17(16)12-19/h6-12,23H,2-5,13H2,1H3,(H,22,24)/b21-14+
InChIKeyGSXSNOXYIHPZFI-KGENOOAVSA-N
XLogP3.19
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3548730
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135560522
2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 46496046
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135849100
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 133169944
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (CID 136627448) is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is C/C(=N\NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The InChIKey is GSXSNOXYIHPZFI-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-6-9-18(23)10-7-15)21-22-20(24)13-25-19-11-8-16-4-2-3-5-17(16)12-19/h6-12,23H,2-5,13H2,1H3,(H,22,24)/b21-14+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is sourced from PubChem (CID 136627448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).