N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide

C21H32FNO4 — CID 59224613

IUPACN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(F)c1)C1CCCCC1)OC
InChIInChI=1S/C21H32FNO4/c1-25-21(26-2)16-23(19-9-4-3-5-10-19)20(24)12-14-27-13-11-17-7-6-8-18(22)15-17/h6-8,15,19,21H,3-5,9-14,16H2,1-2H3
InChIKeyUNOKPLHNTSSTML-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.56
Rot. Bonds11

About N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide (PubChem CID 59224613) has the molecular formula C21H32FNO4 and a molecular weight of 381.49 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide
PubChem CID59224613
Molecular FormulaC21H32FNO4
Molecular Weight381.49 g/mol
Exact Mass381.23
IUPAC NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(F)c1)C1CCCCC1)OC
InChIInChI=1S/C21H32FNO4/c1-25-21(26-2)16-23(19-9-4-3-5-10-19)20(24)12-14-27-13-11-17-7-6-8-18(22)15-17/h6-8,15,19,21H,3-5,9-14,16H2,1-2H3
InChIKeyUNOKPLHNTSSTML-UHFFFAOYSA-N
XLogP3.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
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-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide?
The IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide (CID 59224613) is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide?
The canonical SMILES for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide is COC(CN(C(=O)CCOCCc1cccc(F)c1)C1CCCCC1)OC.
What is the InChIKey of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide?
The InChIKey is UNOKPLHNTSSTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO4/c1-25-21(26-2)16-23(19-9-4-3-5-10-19)20(24)12-14-27-13-11-17-7-6-8-18(22)15-17/h6-8,15,19,21H,3-5,9-14,16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide?
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide has a molecular weight of 381.49 g/mol, XLogP of 3.56, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide is sourced from PubChem (CID 59224613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).