N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C21H24F3NO2 — CID 97428624

IUPACN-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC[C@@](CNC(=O)CCc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1
InChIInChI=1S/C21H24F3NO2/c1-3-20(27-2,17-7-5-4-6-8-17)15-25-19(26)14-11-16-9-12-18(13-10-16)21(22,23)24/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyQQZHSUYWHODHQQ-FQEVSTJZSA-N
MW379.42 g/mol
LogP4.71
Rot. Bonds8

About N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 97428624) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID97428624
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC[C@@](CNC(=O)CCc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1
InChIInChI=1S/C21H24F3NO2/c1-3-20(27-2,17-7-5-4-6-8-17)15-25-19(26)14-11-16-9-12-18(13-10-16)21(22,23)24/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyQQZHSUYWHODHQQ-FQEVSTJZSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
CID 1262752
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-3-phenylpropanamide
CID 10765459
N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-2-ylphenyl)phenyl]pentanamide
CID 44348116
(Cyclohexylcarbamoyl)[4-(trifluoromethyl)phenyl]methyl acetate
CID 3230486

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 97428624) is N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide is CC[C@@](CNC(=O)CCc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1.
What is the InChIKey of N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QQZHSUYWHODHQQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-3-20(27-2,17-7-5-4-6-8-17)15-25-19(26)14-11-16-9-12-18(13-10-16)21(22,23)24/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,25,26)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 379.42 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-phenylbutyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97428624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).