ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate

C19H28FNO3 — CID 142752041

IUPACethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate
SMILESCCOCC(C(=O)OCC)C1CCC(c2ccnc(F)c2C)CC1
InChIInChI=1S/C19H28FNO3/c1-4-23-12-17(19(22)24-5-2)15-8-6-14(7-9-15)16-10-11-21-18(20)13(16)3/h10-11,14-15,17H,4-9,12H2,1-3H3
InChIKeySPPYXMVWQVCVMI-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.02
Rot. Bonds7

About ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate

ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate (PubChem CID 142752041) has the molecular formula C19H28FNO3 and a molecular weight of 337.44 g/mol. Its IUPAC name is ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate
PubChem CID142752041
Molecular FormulaC19H28FNO3
Molecular Weight337.44 g/mol
Exact Mass337.21
IUPAC Nameethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate
SMILESCCOCC(C(=O)OCC)C1CCC(c2ccnc(F)c2C)CC1
InChIInChI=1S/C19H28FNO3/c1-4-23-12-17(19(22)24-5-2)15-8-6-14(7-9-15)16-10-11-21-18(20)13(16)3/h10-11,14-15,17H,4-9,12H2,1-3H3
InChIKeySPPYXMVWQVCVMI-UHFFFAOYSA-N
XLogP4.02
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate 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 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate
CID 142471167
(3S)-3-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]-1-(6-methoxy-3-pyridinyl)pentan-1-one
CID 159631120
methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate
CID 146470863
ethyl 2-cyclohexyl-3-ethoxypropanoate
CID 66831061
ethyl 3-cyano-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
CID 142471221
N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 138490241
ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
CID 134203331
ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate
CID 142471263
ethane;ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
CID 145448638
ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate
CID 121318744
N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide
CID 146482222
[3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate
CID 118915583

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate?
The IUPAC name of ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate (CID 142752041) is ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate.
What is the SMILES notation for ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate?
The canonical SMILES for ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate is CCOCC(C(=O)OCC)C1CCC(c2ccnc(F)c2C)CC1.
What is the InChIKey of ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate?
The InChIKey is SPPYXMVWQVCVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO3/c1-4-23-12-17(19(22)24-5-2)15-8-6-14(7-9-15)16-10-11-21-18(20)13(16)3/h10-11,14-15,17H,4-9,12H2,1-3H3.
What are the key properties of ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate?
ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate has a molecular weight of 337.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate is sourced from PubChem (CID 142752041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).