2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide

C13H20N2O2 — CID 61168038

IUPAC2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
SMILESCC(C)(C)CNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)9-15-12(16)8-17-11-6-4-10(14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyHZLMHXIHGSXSKN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide

2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide (PubChem CID 61168038) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
PubChem CID61168038
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
SMILESCC(C)(C)CNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)9-15-12(16)8-17-11-6-4-10(14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyHZLMHXIHGSXSKN-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide
CID 61103897
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100800978
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300
2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
CID 54908666
2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114464873

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide (CID 61168038) is 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide is CC(C)(C)CNC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is HZLMHXIHGSXSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)9-15-12(16)8-17-11-6-4-10(14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide?
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 61168038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).