ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate

C24H25NO4 — CID 121447093

IUPACethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2cc(-c3cccc(OC4CCCC4)n3)ccc2c1
InChIInChI=1S/C24H25NO4/c1-2-27-24(26)16-28-21-13-12-17-14-19(11-10-18(17)15-21)22-8-5-9-23(25-22)29-20-6-3-4-7-20/h5,8-15,20H,2-4,6-7,16H2,1H3
InChIKeyKVDVFLAYVQWTMQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.17
Rot. Bonds7

About ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate

ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate (PubChem CID 121447093) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate
PubChem CID121447093
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Nameethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2cc(-c3cccc(OC4CCCC4)n3)ccc2c1
InChIInChI=1S/C24H25NO4/c1-2-27-24(26)16-28-21-13-12-17-14-19(11-10-18(17)15-21)22-8-5-9-23(25-22)29-20-6-3-4-7-20/h5,8-15,20H,2-4,6-7,16H2,1H3
InChIKeyKVDVFLAYVQWTMQ-UHFFFAOYSA-N
XLogP5.17
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate (CID 121447093) is ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate is CCOC(=O)COc1ccc2cc(-c3cccc(OC4CCCC4)n3)ccc2c1.
What is the InChIKey of ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate?
The InChIKey is KVDVFLAYVQWTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-27-24(26)16-28-21-13-12-17-14-19(11-10-18(17)15-21)22-8-5-9-23(25-22)29-20-6-3-4-7-20/h5,8-15,20H,2-4,6-7,16H2,1H3.
What are the key properties of ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate?
ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate has a molecular weight of 391.47 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate is sourced from PubChem (CID 121447093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).