ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate

C24H23NO4 — CID 11773681

IUPACethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate
SMILESCCOC(=O)C(C#N)C(c1ccc(OC)cc1OC)c1cccc2ccccc12
InChIInChI=1S/C24H23NO4/c1-4-29-24(26)21(15-25)23(20-13-12-17(27-2)14-22(20)28-3)19-11-7-9-16-8-5-6-10-18(16)19/h5-14,21,23H,4H2,1-3H3
InChIKeyCNKCDDUMEAKBMY-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.69
Rot. Bonds7

About ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate

ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate (PubChem CID 11773681) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate
PubChem CID11773681
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Nameethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate
SMILESCCOC(=O)C(C#N)C(c1ccc(OC)cc1OC)c1cccc2ccccc12
InChIInChI=1S/C24H23NO4/c1-4-29-24(26)21(15-25)23(20-13-12-17(27-2)14-22(20)28-3)19-11-7-9-16-8-5-6-10-18(16)19/h5-14,21,23H,4H2,1-3H3
InChIKeyCNKCDDUMEAKBMY-UHFFFAOYSA-N
XLogP4.69
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate?
The IUPAC name of ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate (CID 11773681) is ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate.
What is the SMILES notation for ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate?
The canonical SMILES for ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate is CCOC(=O)C(C#N)C(c1ccc(OC)cc1OC)c1cccc2ccccc12.
What is the InChIKey of ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate?
The InChIKey is CNKCDDUMEAKBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-4-29-24(26)21(15-25)23(20-13-12-17(27-2)14-22(20)28-3)19-11-7-9-16-8-5-6-10-18(16)19/h5-14,21,23H,4H2,1-3H3.
What are the key properties of ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate?
ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate has a molecular weight of 389.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-3-(2,4-dimethoxyphenyl)-3-naphthalen-1-ylpropanoate is sourced from PubChem (CID 11773681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).