N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C22H27F3N2O — CID 15983570

IUPACN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(C(CCN(C)C)NC(=O)CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H27F3N2O/c1-16-4-9-18(10-5-16)20(14-15-27(2)3)26-21(28)13-8-17-6-11-19(12-7-17)22(23,24)25/h4-7,9-12,20H,8,13-15H2,1-3H3,(H,26,28)
InChIKeyODKOYJCCEAJOTN-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.76
Rot. Bonds8

About N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 15983570) has the molecular formula C22H27F3N2O and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID15983570
Molecular FormulaC22H27F3N2O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(C(CCN(C)C)NC(=O)CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H27F3N2O/c1-16-4-9-18(10-5-16)20(14-15-27(2)3)26-21(28)13-8-17-6-11-19(12-7-17)22(23,24)25/h4-7,9-12,20H,8,13-15H2,1-3H3,(H,26,28)
InChIKeyODKOYJCCEAJOTN-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.76
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-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 15983570) is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide is Cc1ccc(C(CCN(C)C)NC(=O)CCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ODKOYJCCEAJOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O/c1-16-4-9-18(10-5-16)20(14-15-27(2)3)26-21(28)13-8-17-6-11-19(12-7-17)22(23,24)25/h4-7,9-12,20H,8,13-15H2,1-3H3,(H,26,28).
What are the key properties of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 392.47 g/mol, XLogP of 4.76, 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-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 15983570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).