N-(4-hydroxyphenoxy)propanamide

C9H11NO3 — CID 146681453

IUPACN-(4-hydroxyphenoxy)propanamide
SMILESCCC(=O)NOc1ccc(O)cc1
InChIInChI=1S/C9H11NO3/c1-2-9(12)10-13-8-5-3-7(11)4-6-8/h3-6,11H,2H2,1H3,(H,10,12)
InChIKeyWXUMSYAWUKLLBZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.21
Rot. Bonds3

About N-(4-hydroxyphenoxy)propanamide

N-(4-hydroxyphenoxy)propanamide (PubChem CID 146681453) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(4-hydroxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenoxy)propanamide
PubChem CID146681453
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-(4-hydroxyphenoxy)propanamide
SMILESCCC(=O)NOc1ccc(O)cc1
InChIInChI=1S/C9H11NO3/c1-2-9(12)10-13-8-5-3-7(11)4-6-8/h3-6,11H,2H2,1H3,(H,10,12)
InChIKeyWXUMSYAWUKLLBZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenoxy)acetamide
CID 71726189
N-Phenoxyacetamide
CID 537524
N-phenoxypivalamide
CID 20584483
Hydroquinone acetone
CID 70503391
Phenylacryl-hydroxamate
CID 88575986
Phenol;2,2,2-trifluoroacetamide
CID 87432417
N-(4-fluorophenoxy)-2-methylpropanamide
CID 154207702
N-(3-fluorophenoxy)acetamide
CID 164007032
benzene-1,4-diol;N,N-dimethylacetamide
CID 139176364
N-(4-iodophenoxy)acetamide
CID 176423904
2-Aminoacetamide;phenol
CID 19593721
Benzene-1,4-diol;hexadecanamide
CID 19763166

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenoxy)propanamide?
The IUPAC name of N-(4-hydroxyphenoxy)propanamide (CID 146681453) is N-(4-hydroxyphenoxy)propanamide.
What is the SMILES notation for N-(4-hydroxyphenoxy)propanamide?
The canonical SMILES for N-(4-hydroxyphenoxy)propanamide is CCC(=O)NOc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenoxy)propanamide?
The InChIKey is WXUMSYAWUKLLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-9(12)10-13-8-5-3-7(11)4-6-8/h3-6,11H,2H2,1H3,(H,10,12).
What are the key properties of N-(4-hydroxyphenoxy)propanamide?
N-(4-hydroxyphenoxy)propanamide has a molecular weight of 181.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenoxy)propanamide is sourced from PubChem (CID 146681453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).