N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide

C13H20F2N2O2 — CID 103208226

IUPACN-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide
SMILESN#CC(NC(=O)CCOCC(F)F)C1CCCCC1
InChIInChI=1S/C13H20F2N2O2/c14-12(15)9-19-7-6-13(18)17-11(8-16)10-4-2-1-3-5-10/h10-12H,1-7,9H2,(H,17,18)
InChIKeyHPWZSJSPDQJACU-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.25
Rot. Bonds7

About N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide

N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208226) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208226
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC NameN-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide
SMILESN#CC(NC(=O)CCOCC(F)F)C1CCCCC1
InChIInChI=1S/C13H20F2N2O2/c14-12(15)9-19-7-6-13(18)17-11(8-16)10-4-2-1-3-5-10/h10-12H,1-7,9H2,(H,17,18)
InChIKeyHPWZSJSPDQJACU-UHFFFAOYSA-N
XLogP2.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.25
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

N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
CID 55136713
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide
CID 103206903
N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309839
N-[2-(bromomethyl)cyclohexyl]-3-(2,2-difluoroethoxy)propanamide
CID 106367115
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide
CID 61123203
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 71979380
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212483
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
CID 103206146
3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103525061

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide (CID 103208226) is N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide is N#CC(NC(=O)CCOCC(F)F)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is HPWZSJSPDQJACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c14-12(15)9-19-7-6-13(18)17-11(8-16)10-4-2-1-3-5-10/h10-12H,1-7,9H2,(H,17,18).
What are the key properties of N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide?
N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 274.31 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).