N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide

C13H18F2N2O2 — CID 120507742

IUPACN-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESC[C@@H](CN)NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-9(8-16)17-12(18)7-4-10-2-5-11(6-3-10)19-13(14)15/h2-3,5-6,9,13H,4,7-8,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFOCUPFLZQWPVNG-VIFPVBQESA-N
MW272.30 g/mol
LogP1.68
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide

N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 120507742) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID120507742
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESC[C@@H](CN)NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-9(8-16)17-12(18)7-4-10-2-5-11(6-3-10)19-13(14)15/h2-3,5-6,9,13H,4,7-8,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFOCUPFLZQWPVNG-VIFPVBQESA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 86922906
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
CID 146154209
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119571012
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide
CID 60504747
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide (CID 120507742) is N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide is C[C@@H](CN)NC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is FOCUPFLZQWPVNG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9(8-16)17-12(18)7-4-10-2-5-11(6-3-10)19-13(14)15/h2-3,5-6,9,13H,4,7-8,16H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide?
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 272.30 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 120507742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).