N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide

C17H27FN2O — CID 110312950

IUPACN-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(C)(C)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-12(2)15(13-7-9-14(18)10-8-13)16(21)19-11-17(3,4)20(5)6/h7-10,12,15H,11H2,1-6H3,(H,19,21)
InChIKeyLDMZGBKURVUZIR-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide

N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide (PubChem CID 110312950) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
PubChem CID110312950
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(C)(C)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-12(2)15(13-7-9-14(18)10-8-13)16(21)19-11-17(3,4)20(5)6/h7-10,12,15H,11H2,1-6H3,(H,19,21)
InChIKeyLDMZGBKURVUZIR-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110312935
2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
CID 110316805
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 110303228
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110619451
N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110303265
(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
CID 56635830
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
CID 107026862
N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide
CID 110353499
2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide (CID 110312950) is N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide is CC(C)C(C(=O)NCC(C)(C)N(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide?
The InChIKey is LDMZGBKURVUZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-12(2)15(13-7-9-14(18)10-8-13)16(21)19-11-17(3,4)20(5)6/h7-10,12,15H,11H2,1-6H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide?
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide has a molecular weight of 294.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 110312950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).