N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide

C20H30FNO4 — CID 143698429

IUPACN-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide
SMILESCOC(O)CN(C(=O)CCOCCc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C20H30FNO4/c1-25-20(24)15-22(18-5-3-2-4-6-18)19(23)12-14-26-13-11-16-7-9-17(21)10-8-16/h7-10,18,20,24H,2-6,11-15H2,1H3
InChIKeySORJHWMOQJDKIC-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.90
Rot. Bonds10

About N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide

N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide (PubChem CID 143698429) has the molecular formula C20H30FNO4 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide
PubChem CID143698429
Molecular FormulaC20H30FNO4
Molecular Weight367.46 g/mol
Exact Mass367.22
IUPAC NameN-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide
SMILESCOC(O)CN(C(=O)CCOCCc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C20H30FNO4/c1-25-20(24)15-22(18-5-3-2-4-6-18)19(23)12-14-26-13-11-16-7-9-17(21)10-8-16/h7-10,18,20,24H,2-6,11-15H2,1H3
InChIKeySORJHWMOQJDKIC-UHFFFAOYSA-N
XLogP2.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide (CID 143698429) is N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide is COC(O)CN(C(=O)CCOCCc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide?
The InChIKey is SORJHWMOQJDKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO4/c1-25-20(24)15-22(18-5-3-2-4-6-18)19(23)12-14-26-13-11-16-7-9-17(21)10-8-16/h7-10,18,20,24H,2-6,11-15H2,1H3.
What are the key properties of N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide?
N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide has a molecular weight of 367.46 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide is sourced from PubChem (CID 143698429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).