2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C13H20N2O3 — CID 79248730

IUPAC2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)COc1cccc(N)c1
InChIInChI=1S/C13H20N2O3/c1-9(2)12(7-16)15-13(17)8-18-11-5-3-4-10(14)6-11/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyVZUZVGNZNYHSGG-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.78
Rot. Bonds6

About 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 79248730) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID79248730
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)COc1cccc(N)c1
InChIInChI=1S/C13H20N2O3/c1-9(2)12(7-16)15-13(17)8-18-11-5-3-4-10(14)6-11/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyVZUZVGNZNYHSGG-UHFFFAOYSA-N
XLogP0.78
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060
2-(2,6-dimethylphenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79247450
2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 74554708
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
N-(1-chloro-3-methylbutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 113273495
2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
CID 61140673
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 114316131

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 79248730) is 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is CC(C)C(CO)NC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is VZUZVGNZNYHSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)12(7-16)15-13(17)8-18-11-5-3-4-10(14)6-11/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79248730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).