N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C24H25F3N2O — CID 15983695

IUPACN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)CCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25F3N2O/c1-29(2)14-13-22(20-10-9-18-5-3-4-6-19(18)16-20)28-23(30)15-17-7-11-21(12-8-17)24(25,26)27/h3-12,16,22H,13-15H2,1-2H3,(H,28,30)
InChIKeyIMWWZKMBTJIMCE-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.21
Rot. Bonds7

About N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 15983695) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID15983695
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)CCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25F3N2O/c1-29(2)14-13-22(20-10-9-18-5-3-4-6-19(18)16-20)28-23(30)15-17-7-11-21(12-8-17)24(25,26)27/h3-12,16,22H,13-15H2,1-2H3,(H,28,30)
InChIKeyIMWWZKMBTJIMCE-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 15983695) is N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CN(C)CCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IMWWZKMBTJIMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c1-29(2)14-13-22(20-10-9-18-5-3-4-6-19(18)16-20)28-23(30)15-17-7-11-21(12-8-17)24(25,26)27/h3-12,16,22H,13-15H2,1-2H3,(H,28,30).
What are the key properties of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 15983695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).