ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate

C24H23NO4 — CID 67058116

IUPACethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate
SMILESCCOC(=O)CC(OCC)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1
InChIInChI=1S/C24H23NO4/c1-3-27-23(15-24(26)28-4-2)17-9-12-19(13-10-17)29-22-14-11-18(16-25)20-7-5-6-8-21(20)22/h5-14,23H,3-4,15H2,1-2H3
InChIKeyWRJFXAZJZAJTDV-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.53
Rot. Bonds8

About ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate

ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate (PubChem CID 67058116) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate
PubChem CID67058116
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Nameethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate
SMILESCCOC(=O)CC(OCC)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1
InChIInChI=1S/C24H23NO4/c1-3-27-23(15-24(26)28-4-2)17-9-12-19(13-10-17)29-22-14-11-18(16-25)20-7-5-6-8-21(20)22/h5-14,23H,3-4,15H2,1-2H3
InChIKeyWRJFXAZJZAJTDV-UHFFFAOYSA-N
XLogP5.53
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate
CID 67058217
ethyl 2-(4-cyanonaphthalen-1-yl)acetate
CID 72942952
ethyl (3R)-3-ethoxy-3-(4-nitrophenyl)propanoate
CID 129379762
butyl 3-ethoxy-3-phenylpropanoate
CID 174751774
ethyl 4-cyano-4-(4-methoxyphenyl)-3-phenylbutanoate
CID 12835005
ethyl 2-(3-cyano-2,6-dimethoxyphenyl)acetate
CID 134655715
4-(2,5-dimethylphenoxy)naphthalene-1-carbonitrile;propane
CID 145267272
[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59847042
ethyl 4-(2-cyanophenyl)-3,4-dihydroxybutanoate
CID 171897124
ethyl 4-(2-cyanophenyl)but-3-enoate
CID 170795854
1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[1-[4-(4-methylphenyl)sulfonylphenyl]propoxy]naphthalene
CID 70964781
ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate
CID 67284122

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate?
The IUPAC name of ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate (CID 67058116) is ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate.
What is the SMILES notation for ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate?
The canonical SMILES for ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate is CCOC(=O)CC(OCC)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1.
What is the InChIKey of ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate?
The InChIKey is WRJFXAZJZAJTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-3-27-23(15-24(26)28-4-2)17-9-12-19(13-10-17)29-22-14-11-18(16-25)20-7-5-6-8-21(20)22/h5-14,23H,3-4,15H2,1-2H3.
What are the key properties of ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate?
ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate has a molecular weight of 389.45 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate is sourced from PubChem (CID 67058116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).