3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide

C17H26F2N2O2 — CID 78848142

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H26F2N2O2/c1-17(2,12-21(3)4)11-20-15(22)10-7-13-5-8-14(9-6-13)23-16(18)19/h5-6,8-9,16H,7,10-12H2,1-4H3,(H,20,22)
InChIKeyAKNCFNQUKSCLGU-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.92
Rot. Bonds9

About 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide

3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide (PubChem CID 78848142) has the molecular formula C17H26F2N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
PubChem CID78848142
Molecular FormulaC17H26F2N2O2
Molecular Weight328.40 g/mol
Exact Mass328.20
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H26F2N2O2/c1-17(2,12-21(3)4)11-20-15(22)10-7-13-5-8-14(9-6-13)23-16(18)19/h5-6,8-9,16H,7,10-12H2,1-4H3,(H,20,22)
InChIKeyAKNCFNQUKSCLGU-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86916563
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
CID 146154209
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-ethoxyphenoxy)acetamide
CID 134008150
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43097278

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide (CID 78848142) is 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide is CN(C)CC(C)(C)CNC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The InChIKey is AKNCFNQUKSCLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O2/c1-17(2,12-21(3)4)11-20-15(22)10-7-13-5-8-14(9-6-13)23-16(18)19/h5-6,8-9,16H,7,10-12H2,1-4H3,(H,20,22).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide has a molecular weight of 328.40 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 78848142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).