ethyl 2-(4-tert-butylanilino)acetate

C14H21NO2 — CID 28572085

IUPACethyl 2-(4-tert-butylanilino)acetate
SMILESCCOC(=O)CNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-5-17-13(16)10-15-12-8-6-11(7-9-12)14(2,3)4/h6-9,15H,5,10H2,1-4H3
InChIKeyUGPCWRULYJPAFC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.96
Rot. Bonds4

About ethyl 2-(4-tert-butylanilino)acetate

ethyl 2-(4-tert-butylanilino)acetate (PubChem CID 28572085) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 2-(4-tert-butylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butylanilino)acetate
PubChem CID28572085
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 2-(4-tert-butylanilino)acetate
SMILESCCOC(=O)CNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-5-17-13(16)10-15-12-8-6-11(7-9-12)14(2,3)4/h6-9,15H,5,10H2,1-4H3
InChIKeyUGPCWRULYJPAFC-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-tert-butylanilino)acetate?
The IUPAC name of ethyl 2-(4-tert-butylanilino)acetate (CID 28572085) is ethyl 2-(4-tert-butylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-tert-butylanilino)acetate?
The canonical SMILES for ethyl 2-(4-tert-butylanilino)acetate is CCOC(=O)CNc1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl 2-(4-tert-butylanilino)acetate?
The InChIKey is UGPCWRULYJPAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-17-13(16)10-15-12-8-6-11(7-9-12)14(2,3)4/h6-9,15H,5,10H2,1-4H3.
What are the key properties of ethyl 2-(4-tert-butylanilino)acetate?
ethyl 2-(4-tert-butylanilino)acetate has a molecular weight of 235.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butylanilino)acetate is sourced from PubChem (CID 28572085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).