ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate

C17H25NO2 — CID 60796035

IUPACethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-5-20-16(19)15(18-14-10-11-14)12-6-8-13(9-7-12)17(2,3)4/h6-9,14-15,18H,5,10-11H2,1-4H3
InChIKeyIYBOMWVAYBLZLK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.34
Rot. Bonds5

About ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate

ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate (PubChem CID 60796035) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate
PubChem CID60796035
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-5-20-16(19)15(18-14-10-11-14)12-6-8-13(9-7-12)17(2,3)4/h6-9,14-15,18H,5,10-11H2,1-4H3
InChIKeyIYBOMWVAYBLZLK-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)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

ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
CID 81146015
ethyl 2-(cyclopropylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147934
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
CID 116857339
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
CID 79367067
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate
CID 103882376

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate?
The IUPAC name of ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate (CID 60796035) is ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate.
What is the SMILES notation for ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate?
The canonical SMILES for ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate is CCOC(=O)C(NC1CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate?
The InChIKey is IYBOMWVAYBLZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-20-16(19)15(18-14-10-11-14)12-6-8-13(9-7-12)17(2,3)4/h6-9,14-15,18H,5,10-11H2,1-4H3.
What are the key properties of ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate?
ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate has a molecular weight of 275.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate is sourced from PubChem (CID 60796035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).