ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate

C27H37NO5 — CID 67683163

IUPACethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1cc(C)c(Cc2ccc(OCOC)c(C3CCCCC3)n2)c(C)c1
InChIInChI=1S/C27H37NO5/c1-6-31-27(29)20(4)33-23-14-18(2)24(19(3)15-23)16-22-12-13-25(32-17-30-5)26(28-22)21-10-8-7-9-11-21/h12-15,20-21H,6-11,16-17H2,1-5H3
InChIKeyKVEKNFGMCBNDLK-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.65
Rot. Bonds10

About ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate

ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate (PubChem CID 67683163) has the molecular formula C27H37NO5 and a molecular weight of 455.60 g/mol. Its IUPAC name is ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate
PubChem CID67683163
Molecular FormulaC27H37NO5
Molecular Weight455.60 g/mol
Exact Mass455.27
IUPAC Nameethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1cc(C)c(Cc2ccc(OCOC)c(C3CCCCC3)n2)c(C)c1
InChIInChI=1S/C27H37NO5/c1-6-31-27(29)20(4)33-23-14-18(2)24(19(3)15-23)16-22-12-13-25(32-17-30-5)26(28-22)21-10-8-7-9-11-21/h12-15,20-21H,6-11,16-17H2,1-5H3
InChIKeyKVEKNFGMCBNDLK-UHFFFAOYSA-N
XLogP5.65
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate (CID 67683163) is ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate is CCOC(=O)C(C)Oc1cc(C)c(Cc2ccc(OCOC)c(C3CCCCC3)n2)c(C)c1.
What is the InChIKey of ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate?
The InChIKey is KVEKNFGMCBNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO5/c1-6-31-27(29)20(4)33-23-14-18(2)24(19(3)15-23)16-22-12-13-25(32-17-30-5)26(28-22)21-10-8-7-9-11-21/h12-15,20-21H,6-11,16-17H2,1-5H3.
What are the key properties of ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate?
ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate has a molecular weight of 455.60 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[6-cyclohexyl-5-(methoxymethoxy)-2-pyridinyl]methyl]-3,5-dimethylphenoxy]propanoate is sourced from PubChem (CID 67683163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).