N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide

C10H20F2N2O2 — CID 103205484

IUPACN-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
SMILESNCCCCCNC(=O)CCOCC(F)F
InChIInChI=1S/C10H20F2N2O2/c11-9(12)8-16-7-4-10(15)14-6-3-1-2-5-13/h9H,1-8,13H2,(H,14,15)
InChIKeyFBSIJUUWLOZXHM-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.90
Rot. Bonds10

About N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide

N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205484) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205484
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC NameN-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
SMILESNCCCCCNC(=O)CCOCC(F)F
InChIInChI=1S/C10H20F2N2O2/c11-9(12)8-16-7-4-10(15)14-6-3-1-2-5-13/h9H,1-8,13H2,(H,14,15)
InChIKeyFBSIJUUWLOZXHM-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205763
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 107320973
ethyl 4-[3-(2,2-difluoroethoxy)propanoylamino]butanoate
CID 103209827
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide
CID 103211673
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869
6-(2,2-difluoroethoxy)hexan-1-amine
CID 82006295
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide (CID 103205484) is N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide is NCCCCCNC(=O)CCOCC(F)F.
What is the InChIKey of N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is FBSIJUUWLOZXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c11-9(12)8-16-7-4-10(15)14-6-3-1-2-5-13/h9H,1-8,13H2,(H,14,15).
What are the key properties of N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide?
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 238.28 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).