3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide

C14H20F2N2O — CID 166390711

IUPAC3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide
SMILESCN(C)CC(F)(F)C(=O)NCCCc1ccccc1
InChIInChI=1S/C14H20F2N2O/c1-18(2)11-14(15,16)13(19)17-10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,19)
InChIKeyFXOTYOYICGRLOX-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.93
Rot. Bonds7

About 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide

3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide (PubChem CID 166390711) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide
PubChem CID166390711
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide
SMILESCN(C)CC(F)(F)C(=O)NCCCc1ccccc1
InChIInChI=1S/C14H20F2N2O/c1-18(2)11-14(15,16)13(19)17-10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,19)
InChIKeyFXOTYOYICGRLOX-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108960228
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-phenylbutyl)hexanediamide
CID 3286947
3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
CID 65269650
2,3-dimethyl-4-oxo-4-(3-phenylpropylamino)but-2-enoic acid
CID 76991316
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
3-phenylpropylurea;2,2,2-trifluoroacetic acid
CID 162337981
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
N-butyl-2,2,2-trifluoroacetamide;2-(3-phenylpropylamino)acetic acid
CID 142350928
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
2-amino-2-methyl-N-(5-phenylpentyl)propanamide
CID 119317062
2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide
CID 155557565
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide (CID 166390711) is 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide is CN(C)CC(F)(F)C(=O)NCCCc1ccccc1.
What is the InChIKey of 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide?
The InChIKey is FXOTYOYICGRLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-18(2)11-14(15,16)13(19)17-10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide?
3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide has a molecular weight of 270.32 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 166390711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).