2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide

C12H18N2O2 — CID 62018130

IUPAC2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1c(C)ccc(N)c1C
InChIInChI=1S/C12H18N2O2/c1-4-14-11(15)7-16-12-8(2)5-6-10(13)9(12)3/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyGKAYYVZKZIXCTI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.40
Rot. Bonds4

About 2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide

2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide (PubChem CID 62018130) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide
PubChem CID62018130
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1c(C)ccc(N)c1C
InChIInChI=1S/C12H18N2O2/c1-4-14-11(15)7-16-12-8(2)5-6-10(13)9(12)3/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyGKAYYVZKZIXCTI-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.40
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-(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-tert-butylacetamide
CID 62018129
2-(3-amino-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 62018877
2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide
CID 62057922
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate
CID 62019077
2-(4-aminonaphthalen-1-yl)oxy-N-ethylacetamide
CID 63690637
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide
CID 108766269

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide (CID 62018130) is 2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide is CCNC(=O)COc1c(C)ccc(N)c1C.
What is the InChIKey of 2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide?
The InChIKey is GKAYYVZKZIXCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14-11(15)7-16-12-8(2)5-6-10(13)9(12)3/h5-6H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide?
2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.40, 4 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-ethylacetamide is sourced from PubChem (CID 62018130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).