[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate

C17H21NO4 — CID 8806393

IUPAC[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
SMILESC#CCNC(=O)COC(=O)COc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H21NO4/c1-5-8-18-16(19)10-22-17(20)11-21-15-9-14(12(2)3)7-6-13(15)4/h1,6-7,9,12H,8,10-11H2,2-4H3,(H,18,19)
InChIKeyIMZALSKKLWZBEF-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.79
Rot. Bonds7

About [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate

[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate (PubChem CID 8806393) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
PubChem CID8806393
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
SMILESC#CCNC(=O)COC(=O)COc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H21NO4/c1-5-8-18-16(19)10-22-17(20)11-21-15-9-14(12(2)3)7-6-13(15)4/h1,6-7,9,12H,8,10-11H2,2-4H3,(H,18,19)
InChIKeyIMZALSKKLWZBEF-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 8806398
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8846348
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24685838
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 16545149
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 177377392
ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate
CID 137495372
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 55693733

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate (CID 8806393) is [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate is C#CCNC(=O)COC(=O)COc1cc(C(C)C)ccc1C.
What is the InChIKey of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?
The InChIKey is IMZALSKKLWZBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-5-8-18-16(19)10-22-17(20)11-21-15-9-14(12(2)3)7-6-13(15)4/h1,6-7,9,12H,8,10-11H2,2-4H3,(H,18,19).
What are the key properties of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate has a molecular weight of 303.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8806393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).