N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C21H25FN2O3 — CID 135607411

IUPACN-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cc(F)ccc1O
InChIInChI=1S/C21H25FN2O3/c1-5-18(17-11-15(22)7-9-19(17)25)23-24-21(26)12-27-20-10-14(4)6-8-16(20)13(2)3/h6-11,13,25H,5,12H2,1-4H3,(H,24,26)/b23-18+
InChIKeyDGIRRRRGTAQSJP-PTGBLXJZSA-N
MW372.44 g/mol
LogP4.27
Rot. Bonds7

About N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 135607411) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID135607411
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cc(F)ccc1O
InChIInChI=1S/C21H25FN2O3/c1-5-18(17-11-15(22)7-9-19(17)25)23-24-21(26)12-27-20-10-14(4)6-8-16(20)13(2)3/h6-11,13,25H,5,12H2,1-4H3,(H,24,26)/b23-18+
InChIKeyDGIRRRRGTAQSJP-PTGBLXJZSA-N
XLogP4.27
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.27
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

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 3988211
2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
CID 135575981
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220
N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 54784829
N-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5174343
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5419872
N-[1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 922128

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 135607411) is N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is CC/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cc(F)ccc1O.
What is the InChIKey of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is DGIRRRRGTAQSJP-PTGBLXJZSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-5-18(17-11-15(22)7-9-19(17)25)23-24-21(26)12-27-20-10-14(4)6-8-16(20)13(2)3/h6-11,13,25H,5,12H2,1-4H3,(H,24,26)/b23-18+.
What are the key properties of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 372.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 135607411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).