N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide

C17H27FN2O — CID 110281888

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide
SMILESCN(C)CCC(NC(=O)CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-17(2,3)12-16(21)19-15(10-11-20(4)5)13-6-8-14(18)9-7-13/h6-9,15H,10-12H2,1-5H3,(H,19,21)
InChIKeyQOHFQNHKKDQKJU-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.37
Rot. Bonds6

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide (PubChem CID 110281888) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide
PubChem CID110281888
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide
SMILESCN(C)CCC(NC(=O)CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-17(2,3)12-16(21)19-15(10-11-20(4)5)13-6-8-14(18)9-7-13/h6-9,15H,10-12H2,1-5H3,(H,19,21)
InChIKeyQOHFQNHKKDQKJU-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-ethylbutanamide
CID 110281896
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 110278571
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide
CID 110281761
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110281854
(E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 110281790
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899211
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide
CID 110281864
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-nitrobenzamide
CID 110281831
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide (CID 110281888) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide is CN(C)CCC(NC(=O)CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide?
The InChIKey is QOHFQNHKKDQKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-17(2,3)12-16(21)19-15(10-11-20(4)5)13-6-8-14(18)9-7-13/h6-9,15H,10-12H2,1-5H3,(H,19,21).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide has a molecular weight of 294.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110281888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).