2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide

C14H20N2O2 — CID 62019069

IUPAC2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCc1ccc(N)c(C)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H20N2O2/c1-9-3-6-12(15)10(2)14(9)18-8-13(17)16-7-11-4-5-11/h3,6,11H,4-5,7-8,15H2,1-2H3,(H,16,17)
InChIKeyYUDOUHOKMTUWAD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds5

About 2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide

2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 62019069) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID62019069
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCc1ccc(N)c(C)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H20N2O2/c1-9-3-6-12(15)10(2)14(9)18-8-13(17)16-7-11-4-5-11/h3,6,11H,4-5,7-8,15H2,1-2H3,(H,16,17)
InChIKeyYUDOUHOKMTUWAD-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
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-cyclohexylacetamide
CID 62018877
2-(3-amino-2,6-dimethylphenoxy)-N-(cyanomethyl)acetamide
CID 62017573
2-(3-amino-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 62017198
2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide
CID 62018129
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108922052
2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
CID 102702513
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652
2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 107656363
N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82913298
[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768796

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide (CID 62019069) is 2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide is Cc1ccc(N)c(C)c1OCC(=O)NCC1CC1.
What is the InChIKey of 2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is YUDOUHOKMTUWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-3-6-12(15)10(2)14(9)18-8-13(17)16-7-11-4-5-11/h3,6,11H,4-5,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide?
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.79, 5 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 62019069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).