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

C16H21N3O2 — CID 66130621

IUPACethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
SMILESCCCn1cncc1C(Nc1ccccc1)C(=O)OCC
InChIInChI=1S/C16H21N3O2/c1-3-10-19-12-17-11-14(19)15(16(20)21-4-2)18-13-8-6-5-7-9-13/h5-9,11-12,15,18H,3-4,10H2,1-2H3
InChIKeyWUAGJPGOPJKTQT-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.01
Rot. Bonds7

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

ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate (PubChem CID 66130621) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
PubChem CID66130621
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
SMILESCCCn1cncc1C(Nc1ccccc1)C(=O)OCC
InChIInChI=1S/C16H21N3O2/c1-3-10-19-12-17-11-14(19)15(16(20)21-4-2)18-13-8-6-5-7-9-13/h5-9,11-12,15,18H,3-4,10H2,1-2H3
InChIKeyWUAGJPGOPJKTQT-UHFFFAOYSA-N
XLogP3.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.01
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-propylimidazol-4-yl)acetate?
The IUPAC name of ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate (CID 66130621) is ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate?
The canonical SMILES for ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate is CCCn1cncc1C(Nc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate?
The InChIKey is WUAGJPGOPJKTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-10-19-12-17-11-14(19)15(16(20)21-4-2)18-13-8-6-5-7-9-13/h5-9,11-12,15,18H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate?
ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate has a molecular weight of 287.36 g/mol, XLogP of 3.01, 7 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-propylimidazol-4-yl)acetate is sourced from PubChem (CID 66130621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).