N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide

C14H20F2N2O2 — CID 119523960

IUPACN-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(C)(CN)NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-14(2,9-17)18-12(19)8-5-10-3-6-11(7-4-10)20-13(15)16/h3-4,6-7,13H,5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyIVTSODADUVRLGW-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.07
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide

N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 119523960) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID119523960
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(C)(CN)NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-14(2,9-17)18-12(19)8-5-10-3-6-11(7-4-10)20-13(15)16/h3-4,6-7,13H,5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyIVTSODADUVRLGW-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119571012
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
CID 119522264
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
CID 146154209
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
2-[4-(difluoromethoxy)phenyl]-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870205
3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 78848142
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 82354510

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide (CID 119523960) is N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide is CC(C)(CN)NC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is IVTSODADUVRLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-14(2,9-17)18-12(19)8-5-10-3-6-11(7-4-10)20-13(15)16/h3-4,6-7,13H,5,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 286.32 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 119523960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).