N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

C19H22N2O3 — CID 135609478

IUPACN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C(C)C)c1ccc(O)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)17-6-4-5-7-18(17)24-12-19(23)21-20-14(3)15-8-10-16(22)11-9-15/h4-11,13,22H,12H2,1-3H3,(H,21,23)/b20-14+
InChIKeyNSSBDYDFJBWTFL-XSFVSMFZSA-N
MW326.40 g/mol
LogP3.43
Rot. Bonds6

About N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 135609478) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID135609478
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C(C)C)c1ccc(O)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)17-6-4-5-7-18(17)24-12-19(23)21-20-14(3)15-8-10-16(22)11-9-15/h4-11,13,22H,12H2,1-3H3,(H,21,23)/b20-14+
InChIKeyNSSBDYDFJBWTFL-XSFVSMFZSA-N
XLogP3.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.43
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-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135609476
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
N-[1-(4-methoxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3251911
N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 6534609
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 7571540
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135625886
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (CID 135609478) is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is C/C(=N\NC(=O)COc1ccccc1C(C)C)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is NSSBDYDFJBWTFL-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)17-6-4-5-7-18(17)24-12-19(23)21-20-14(3)15-8-10-16(22)11-9-15/h4-11,13,22H,12H2,1-3H3,(H,21,23)/b20-14+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.43, 6 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-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 135609478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).