N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide

C21H31F2NO4 — CID 59224548

IUPACN-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CN(C(=O)CCOCCc1cc(F)cc(F)c1)C1CCCCC1)OC
InChIInChI=1S/C21H31F2NO4/c1-26-21(27-2)15-24(19-6-4-3-5-7-19)20(25)9-11-28-10-8-16-12-17(22)14-18(23)13-16/h12-14,19,21H,3-11,15H2,1-2H3
InChIKeyRDRSFJIZQWVRLK-UHFFFAOYSA-N
MW399.48 g/mol
LogP3.69
Rot. Bonds11

About N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide

N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide (PubChem CID 59224548) has the molecular formula C21H31F2NO4 and a molecular weight of 399.48 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide
PubChem CID59224548
Molecular FormulaC21H31F2NO4
Molecular Weight399.48 g/mol
Exact Mass399.22
IUPAC NameN-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CN(C(=O)CCOCCc1cc(F)cc(F)c1)C1CCCCC1)OC
InChIInChI=1S/C21H31F2NO4/c1-26-21(27-2)15-24(19-6-4-3-5-7-19)20(25)9-11-28-10-8-16-12-17(22)14-18(23)13-16/h12-14,19,21H,3-11,15H2,1-2H3
InChIKeyRDRSFJIZQWVRLK-UHFFFAOYSA-N
XLogP3.69
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 53.69
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-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide (CID 59224548) is N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide is COC(CN(C(=O)CCOCCc1cc(F)cc(F)c1)C1CCCCC1)OC.
What is the InChIKey of N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide?
The InChIKey is RDRSFJIZQWVRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2NO4/c1-26-21(27-2)15-24(19-6-4-3-5-7-19)20(25)9-11-28-10-8-16-12-17(22)14-18(23)13-16/h12-14,19,21H,3-11,15H2,1-2H3.
What are the key properties of N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide?
N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide has a molecular weight of 399.48 g/mol, XLogP of 3.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide is sourced from PubChem (CID 59224548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).