N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide

C13H23F2NO3 — CID 103209037

IUPACN-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCOCC(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C13H23F2NO3/c14-12(15)10-19-9-6-13(18)16(7-8-17)11-4-2-1-3-5-11/h11-12,17H,1-10H2
InChIKeyXZBMRINCHODEDW-UHFFFAOYSA-N
MW279.33 g/mol
LogP1.81
Rot. Bonds8

About N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide

N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide (PubChem CID 103209037) has the molecular formula C13H23F2NO3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide
PubChem CID103209037
Molecular FormulaC13H23F2NO3
Molecular Weight279.33 g/mol
Exact Mass279.16
IUPAC NameN-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCOCC(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C13H23F2NO3/c14-12(15)10-19-9-6-13(18)16(7-8-17)11-4-2-1-3-5-11/h11-12,17H,1-10H2
InChIKeyXZBMRINCHODEDW-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Hydroxymethyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43421045
N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43573602
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43577193
N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)propanamide
CID 54942567
N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 54993977
N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54994415
N-cyclohexyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61582187
N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butanamide
CID 65711167
N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 102634970
3-(2,2-Difluoroethoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 103209013
3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 103209014
N-cyclopropyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide
CID 103209016

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide (CID 103209037) is N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide is O=C(CCOCC(F)F)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide?
The InChIKey is XZBMRINCHODEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO3/c14-12(15)10-19-9-6-13(18)16(7-8-17)11-4-2-1-3-5-11/h11-12,17H,1-10H2.
What are the key properties of N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide?
N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide has a molecular weight of 279.33 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 103209037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).