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

C25H27F3N2O — CID 15983818

IUPACN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)CCC(NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H27F3N2O/c1-30(2)16-15-23(21-11-10-19-5-3-4-6-20(19)17-21)29-24(31)14-9-18-7-12-22(13-8-18)25(26,27)28/h3-8,10-13,17,23H,9,14-16H2,1-2H3,(H,29,31)
InChIKeyUKQYUZDXTPCKEO-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.60
Rot. Bonds8

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

N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 15983818) has the molecular formula C25H27F3N2O and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID15983818
Molecular FormulaC25H27F3N2O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC NameN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)CCC(NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H27F3N2O/c1-30(2)16-15-23(21-11-10-19-5-3-4-6-20(19)17-21)29-24(31)14-9-18-7-12-22(13-8-18)25(26,27)28/h3-8,10-13,17,23H,9,14-16H2,1-2H3,(H,29,31)
InChIKeyUKQYUZDXTPCKEO-UHFFFAOYSA-N
XLogP5.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.60
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]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 15983818) is N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is CN(C)CCC(NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UKQYUZDXTPCKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O/c1-30(2)16-15-23(21-11-10-19-5-3-4-6-20(19)17-21)29-24(31)14-9-18-7-12-22(13-8-18)25(26,27)28/h3-8,10-13,17,23H,9,14-16H2,1-2H3,(H,29,31).
What are the key properties of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 428.50 g/mol, XLogP of 5.60, 8 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]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 15983818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).