N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide

C9H18F2N2O2 — CID 103205451

IUPACN-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESNCCCCNC(=O)CCOCC(F)F
InChIInChI=1S/C9H18F2N2O2/c10-8(11)7-15-6-3-9(14)13-5-2-1-4-12/h8H,1-7,12H2,(H,13,14)
InChIKeyJNZVZPVQNSGHHD-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.51
Rot. Bonds9

About N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide

N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205451) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205451
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC NameN-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESNCCCCNC(=O)CCOCC(F)F
InChIInChI=1S/C9H18F2N2O2/c10-8(11)7-15-6-3-9(14)13-5-2-1-4-12/h8H,1-7,12H2,(H,13,14)
InChIKeyJNZVZPVQNSGHHD-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.51
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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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide (CID 103205451) is N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide is NCCCCNC(=O)CCOCC(F)F.
What is the InChIKey of N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is JNZVZPVQNSGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c10-8(11)7-15-6-3-9(14)13-5-2-1-4-12/h8H,1-7,12H2,(H,13,14).
What are the key properties of N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide?
N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 224.25 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).