2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide

C14H22N2O2 — CID 62018129

IUPAC2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide
SMILESCc1ccc(N)c(C)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-9-6-7-11(15)10(2)13(9)18-8-12(17)16-14(3,4)5/h6-7H,8,15H2,1-5H3,(H,16,17)
InChIKeyVHPNYIJZAPRQJO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.18
Rot. Bonds3

About 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide

2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide (PubChem CID 62018129) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide
PubChem CID62018129
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide
SMILESCc1ccc(N)c(C)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-9-6-7-11(15)10(2)13(9)18-8-12(17)16-14(3,4)5/h6-7H,8,15H2,1-5H3,(H,16,17)
InChIKeyVHPNYIJZAPRQJO-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide
CID 62018130
2-(3-amino-2,6-dimethylphenoxy)-N-(cyanomethyl)acetamide
CID 62017573
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
2-(3-amino-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 62017198
2-(3-amino-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 62018877
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
CID 112614743
propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate
CID 62019077
N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696240
2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide
CID 16772032
dimethyl 2,3-bis[2-(tert-butylamino)-2-oxoethoxy]benzene-1,4-dicarboxylate
CID 10874088
2-(3-amino-2,6-dimethylphenoxy)ethanol
CID 62018329

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide?
The IUPAC name of 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide (CID 62018129) is 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide.
What is the SMILES notation for 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide?
The canonical SMILES for 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide is Cc1ccc(N)c(C)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide?
The InChIKey is VHPNYIJZAPRQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-6-7-11(15)10(2)13(9)18-8-12(17)16-14(3,4)5/h6-7H,8,15H2,1-5H3,(H,16,17).
What are the key properties of 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide?
2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide has a molecular weight of 250.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide is sourced from PubChem (CID 62018129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).