N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide

C13H18F2N2O3 — CID 103205623

IUPACN-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide
SMILESNc1cccc(OCCNC(=O)CCOCC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c14-12(15)9-19-6-4-13(18)17-5-7-20-11-3-1-2-10(16)8-11/h1-3,8,12H,4-7,9,16H2,(H,17,18)
InChIKeyHWHDQUBQJMOOPG-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.44
Rot. Bonds9

About N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide

N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205623) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205623
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide
SMILESNc1cccc(OCCNC(=O)CCOCC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c14-12(15)9-19-6-4-13(18)17-5-7-20-11-3-1-2-10(16)8-11/h1-3,8,12H,4-7,9,16H2,(H,17,18)
InChIKeyHWHDQUBQJMOOPG-UHFFFAOYSA-N
XLogP1.44
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide
CID 114289960
3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102914
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702195

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide (CID 103205623) is N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide is Nc1cccc(OCCNC(=O)CCOCC(F)F)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is HWHDQUBQJMOOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c14-12(15)9-19-6-4-13(18)17-5-7-20-11-3-1-2-10(16)8-11/h1-3,8,12H,4-7,9,16H2,(H,17,18).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide?
N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 288.29 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).