N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C17H28ClFN2O — CID 119724736

IUPACN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(CC(C)(C)C)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-12(11-19-5)16(21)20-15(10-17(2,3)4)13-6-8-14(18)9-7-13;/h6-9,12,15,19H,10-11H2,1-5H3,(H,20,21);1H
InChIKeyFZSNOGGBDWFJGW-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.70
Rot. Bonds6

About N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119724736) has the molecular formula C17H28ClFN2O and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119724736
Molecular FormulaC17H28ClFN2O
Molecular Weight330.88 g/mol
Exact Mass330.19
IUPAC NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(CC(C)(C)C)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-12(11-19-5)16(21)20-15(10-17(2,3)4)13-6-8-14(18)9-7-13;/h6-9,12,15,19H,10-11H2,1-5H3,(H,20,21);1H
InChIKeyFZSNOGGBDWFJGW-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724674
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 138627524
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
CID 55972204
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119851641
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718
4-[[2-methyl-3-(methylamino)propanoyl]amino]-4-phenylbutanoic acid
CID 79203169
methyl 3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 119737239

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119724736) is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(CC(C)(C)C)c1ccc(F)cc1.Cl.
What is the InChIKey of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is FZSNOGGBDWFJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O.ClH/c1-12(11-19-5)16(21)20-15(10-17(2,3)4)13-6-8-14(18)9-7-13;/h6-9,12,15,19H,10-11H2,1-5H3,(H,20,21);1H.
What are the key properties of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119724736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).