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

C20H24N2O3 — CID 135588966

IUPACN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(C(C)C)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H24N2O3/c1-4-19(16-5-9-17(23)10-6-16)21-22-20(24)13-25-18-11-7-15(8-12-18)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,24)/b21-19+
InChIKeyLRWHGQSJMGORPV-XUTLUUPISA-N
MW340.42 g/mol
LogP3.82
Rot. Bonds7

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

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 135588966) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID135588966
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(C(C)C)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H24N2O3/c1-4-19(16-5-9-17(23)10-6-16)21-22-20(24)13-25-18-11-7-15(8-12-18)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,24)/b21-19+
InChIKeyLRWHGQSJMGORPV-XUTLUUPISA-N
XLogP3.82
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.82
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

2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
CID 135560389
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 5187996

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (CID 135588966) is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is CC/C(=N\NC(=O)COc1ccc(C(C)C)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is LRWHGQSJMGORPV-XUTLUUPISA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-19(16-5-9-17(23)10-6-16)21-22-20(24)13-25-18-11-7-15(8-12-18)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,24)/b21-19+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.82, 7 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)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 135588966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).