3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide

C14H22N2O3 — CID 65103759

IUPAC3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-3-14(2,18)10-16-13(17)8-9-19-12-6-4-11(15)5-7-12/h4-7,18H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyXMUIEUWJVCVXKO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.31
Rot. Bonds7

About 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide

3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide (PubChem CID 65103759) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
PubChem CID65103759
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-3-14(2,18)10-16-13(17)8-9-19-12-6-4-11(15)5-7-12/h4-7,18H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyXMUIEUWJVCVXKO-UHFFFAOYSA-N
XLogP1.31
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106139288
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839832
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
CID 62326119
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide (CID 65103759) is 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide is CCC(C)(O)CNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide?
The InChIKey is XMUIEUWJVCVXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-14(2,18)10-16-13(17)8-9-19-12-6-4-11(15)5-7-12/h4-7,18H,3,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide?
3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 65103759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).