2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide

C13H18F2N2O3 — CID 81088412

IUPAC2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O3/c1-19-8-11(16)12(18)17-7-6-9-2-4-10(5-3-9)20-13(14)15/h2-5,11,13H,6-8,16H2,1H3,(H,17,18)
InChIKeyOQFGSDODLZKTFV-UHFFFAOYSA-N
MW288.29 g/mol
LogP0.92
Rot. Bonds8

About 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide

2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide (PubChem CID 81088412) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
PubChem CID81088412
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O3/c1-19-8-11(16)12(18)17-7-6-9-2-4-10(5-3-9)20-13(14)15/h2-5,11,13H,6-8,16H2,1H3,(H,17,18)
InChIKeyOQFGSDODLZKTFV-UHFFFAOYSA-N
XLogP0.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
CID 104684782
(2R)-2-amino-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide
CID 174568268
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide (CID 81088412) is 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide is COCC(N)C(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide?
The InChIKey is OQFGSDODLZKTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-19-8-11(16)12(18)17-7-6-9-2-4-10(5-3-9)20-13(14)15/h2-5,11,13H,6-8,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide?
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide has a molecular weight of 288.29 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide is sourced from PubChem (CID 81088412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).