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

C14H22N2O3 — CID 66089630

IUPAC3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-11(6-8-17)10-16-14(18)7-9-19-13-4-2-12(15)3-5-13/h2-5,11,17H,6-10,15H2,1H3,(H,16,18)
InChIKeyWSAMNLJEZLDHBD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.17
Rot. Bonds8

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

3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide (PubChem CID 66089630) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
PubChem CID66089630
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-11(6-8-17)10-16-14(18)7-9-19-13-4-2-12(15)3-5-13/h2-5,11,17H,6-10,15H2,1H3,(H,16,18)
InChIKeyWSAMNLJEZLDHBD-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.17
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'}

Analyze 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
CID 66109025
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106139288
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide (CID 66089630) is 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide is CC(CCO)CNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide?
The InChIKey is WSAMNLJEZLDHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(6-8-17)10-16-14(18)7-9-19-13-4-2-12(15)3-5-13/h2-5,11,17H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide?
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 66089630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).