3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

C15H24N2O3 — CID 106139288

IUPAC3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,8-9-18)11-17-14(19)7-10-20-13-5-3-12(16)4-6-13/h3-6,18H,7-11,16H2,1-2H3,(H,17,19)
InChIKeyKRXSXYIKGFAZAO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.56
Rot. Bonds8

About 3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (PubChem CID 106139288) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
PubChem CID106139288
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,8-9-18)11-17-14(19)7-10-20-13-5-3-12(16)4-6-13/h3-6,18H,7-11,16H2,1-2H3,(H,17,19)
InChIKeyKRXSXYIKGFAZAO-UHFFFAOYSA-N
XLogP1.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.56
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-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825257
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535
3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65103759
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630
3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107843409
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (CID 106139288) is 3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is CC(C)(CCO)CNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The InChIKey is KRXSXYIKGFAZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,8-9-18)11-17-14(19)7-10-20-13-5-3-12(16)4-6-13/h3-6,18H,7-11,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.56, 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-2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 106139288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).