2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide

C13H18F2N2O3 — CID 81083665

IUPAC2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c1-8(17-12(18)11(16)7-19-2)9-4-3-5-10(6-9)20-13(14)15/h3-6,8,11,13H,7,16H2,1-2H3,(H,17,18)
InChIKeyANVRQSHGABFUJE-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.44
Rot. Bonds7

About 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide

2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide (PubChem CID 81083665) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
PubChem CID81083665
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c1-8(17-12(18)11(16)7-19-2)9-4-3-5-10(6-9)20-13(14)15/h3-6,8,11,13H,7,16H2,1-2H3,(H,17,18)
InChIKeyANVRQSHGABFUJE-UHFFFAOYSA-N
XLogP1.44
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 104907136
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
CID 65225924
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667280
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanediamide
CID 81373933
2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide
CID 120986194
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide (CID 81083665) is 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide is COCC(N)C(=O)NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide?
The InChIKey is ANVRQSHGABFUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-8(17-12(18)11(16)7-19-2)9-4-3-5-10(6-9)20-13(14)15/h3-6,8,11,13H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide?
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide has a molecular weight of 288.29 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide is sourced from PubChem (CID 81083665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).