2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide

C14H20N2O2 — CID 54957324

IUPAC2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(C)ccc1N)C1CC1
InChIInChI=1S/C14H20N2O2/c1-3-16(11-5-6-11)14(17)9-18-13-8-10(2)4-7-12(13)15/h4,7-8,11H,3,5-6,9,15H2,1-2H3
InChIKeyTZTODXCDRJZQFS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds5

About 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide

2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide (PubChem CID 54957324) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
PubChem CID54957324
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(C)ccc1N)C1CC1
InChIInChI=1S/C14H20N2O2/c1-3-16(11-5-6-11)14(17)9-18-13-8-10(2)4-7-12(13)15/h4,7-8,11H,3,5-6,9,15H2,1-2H3
InChIKeyTZTODXCDRJZQFS-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 65431648
2-(2-amino-4,6-dimethylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 62057785
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 2-(2-aminophenoxy)acetate
CID 61488778
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-cyclopropyl-N-ethylacetamide
CID 62097639
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112978311
ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate
CID 61114031
2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethoxy]-4-methylbenzoic acid
CID 51515598
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-(2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 43243362
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 114322280

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide (CID 54957324) is 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1cc(C)ccc1N)C1CC1.
What is the InChIKey of 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is TZTODXCDRJZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(11-5-6-11)14(17)9-18-13-8-10(2)4-7-12(13)15/h4,7-8,11H,3,5-6,9,15H2,1-2H3.
What are the key properties of 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide?
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 54957324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).