N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide

C17H25F3N2O — CID 119655169

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)N(C)CC(C)(C)CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O/c1-12(9-15(23)22(4)11-16(2,3)10-21)13-5-7-14(8-6-13)17(18,19)20/h5-8,12H,9-11,21H2,1-4H3
InChIKeyBKUPCELOIPLEAL-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.64
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 119655169) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID119655169
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)N(C)CC(C)(C)CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O/c1-12(9-15(23)22(4)11-16(2,3)10-21)13-5-7-14(8-6-13)17(18,19)20/h5-8,12H,9-11,21H2,1-4H3
InChIKeyBKUPCELOIPLEAL-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79648191
1-(3-amino-2,2-dimethylpropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 79647075
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222812
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylhexanamide;hydrochloride
CID 119655813
N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
3-amino-4-methyl-6-[4-(trifluoromethyl)phenyl]heptanoic acid
CID 11174169
N-(3-amino-2,2-dimethylpropyl)-2-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 119654096
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 119654510
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119528728

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide (CID 119655169) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)N(C)CC(C)(C)CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is BKUPCELOIPLEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-12(9-15(23)22(4)11-16(2,3)10-21)13-5-7-14(8-6-13)17(18,19)20/h5-8,12H,9-11,21H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 330.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119655169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).