ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate

C15H19N3O2 — CID 66133494

IUPACethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1cncn1CC
InChIInChI=1S/C15H19N3O2/c1-3-18-11-16-10-13(18)14(15(19)20-4-2)17-12-8-6-5-7-9-12/h5-11,14,17H,3-4H2,1-2H3
InChIKeyDWNVDARZFALPTM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.62
Rot. Bonds6

About ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate

ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate (PubChem CID 66133494) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate
PubChem CID66133494
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1cncn1CC
InChIInChI=1S/C15H19N3O2/c1-3-18-11-16-10-13(18)14(15(19)20-4-2)17-12-8-6-5-7-9-12/h5-11,14,17H,3-4H2,1-2H3
InChIKeyDWNVDARZFALPTM-UHFFFAOYSA-N
XLogP2.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate?
The IUPAC name of ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate (CID 66133494) is ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate?
The canonical SMILES for ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate is CCOC(=O)C(Nc1ccccc1)c1cncn1CC.
What is the InChIKey of ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate?
The InChIKey is DWNVDARZFALPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-11-16-10-13(18)14(15(19)20-4-2)17-12-8-6-5-7-9-12/h5-11,14,17H,3-4H2,1-2H3.
What are the key properties of ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate?
ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate is sourced from PubChem (CID 66133494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).