3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide

C13H20N2O3 — CID 113491836

IUPAC3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
SMILESCCC(O)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-2-11(16)9-15-13(17)7-8-18-12-5-3-10(14)4-6-12/h3-6,11,16H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyVVYTYXJUHXKXDR-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.92
Rot. Bonds7

About 3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide

3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide (PubChem CID 113491836) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
PubChem CID113491836
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
SMILESCCC(O)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-2-11(16)9-15-13(17)7-8-18-12-5-3-10(14)4-6-12/h3-6,11,16H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyVVYTYXJUHXKXDR-UHFFFAOYSA-N
XLogP0.92
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.92
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

methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
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3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434358
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65103759
[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
CID 62326119

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide (CID 113491836) is 3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide is CCC(O)CNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide?
The InChIKey is VVYTYXJUHXKXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-11(16)9-15-13(17)7-8-18-12-5-3-10(14)4-6-12/h3-6,11,16H,2,7-9,14H2,1H3,(H,15,17).
What are the key properties of 3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide?
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.92, 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-hydroxybutyl)propanamide is sourced from PubChem (CID 113491836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).