ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate

C18H25NO2 — CID 11529370

IUPACethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate
SMILESCCOC(=O)CC1CCN(Cc2ccccc2)C=C1CC
InChIInChI=1S/C18H25NO2/c1-3-16-14-19(13-15-8-6-5-7-9-15)11-10-17(16)12-18(20)21-4-2/h5-9,14,17H,3-4,10-13H2,1-2H3
InChIKeyBMWKKMPNUIHJFZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.76
Rot. Bonds6

About ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate

ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate (PubChem CID 11529370) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate
PubChem CID11529370
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate
SMILESCCOC(=O)CC1CCN(Cc2ccccc2)C=C1CC
InChIInChI=1S/C18H25NO2/c1-3-16-14-19(13-15-8-6-5-7-9-15)11-10-17(16)12-18(20)21-4-2/h5-9,14,17H,3-4,10-13H2,1-2H3
InChIKeyBMWKKMPNUIHJFZ-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate (CID 11529370) is ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate is CCOC(=O)CC1CCN(Cc2ccccc2)C=C1CC.
What is the InChIKey of ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate?
The InChIKey is BMWKKMPNUIHJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-16-14-19(13-15-8-6-5-7-9-15)11-10-17(16)12-18(20)21-4-2/h5-9,14,17H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate?
ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate has a molecular weight of 287.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate is sourced from PubChem (CID 11529370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).