ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate

C22H20N2O4 — CID 1489853

IUPACethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncccc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4/c1-2-27-21(25)15-20-19(9-6-14-23-20)22(26)24-16-10-12-18(13-11-16)28-17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyZRYXZPOQKUXGJS-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.23
Rot. Bonds7

About ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate

ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate (PubChem CID 1489853) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate
PubChem CID1489853
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Nameethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncccc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4/c1-2-27-21(25)15-20-19(9-6-14-23-20)22(26)24-16-10-12-18(13-11-16)28-17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyZRYXZPOQKUXGJS-UHFFFAOYSA-N
XLogP4.23
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate (CID 1489853) is ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate is CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate?
The InChIKey is ZRYXZPOQKUXGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-2-27-21(25)15-20-19(9-6-14-23-20)22(26)24-16-10-12-18(13-11-16)28-17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H,24,26).
What are the key properties of ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate?
ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate has a molecular weight of 376.41 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-phenoxyphenyl)carbamoyl]-2-pyridinyl]acetate is sourced from PubChem (CID 1489853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).