methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate

C21H24F3NO2 — CID 59941158

IUPACmethyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate
SMILESCOC(=O)CN(C)CCC(Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H24F3NO2/c1-25(15-20(26)27-2)13-12-18(17-6-4-3-5-7-17)14-16-8-10-19(11-9-16)21(22,23)24/h3-11,18H,12-15H2,1-2H3
InChIKeyZCQDHPSVWMQOPG-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.53
Rot. Bonds8

About methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate

methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate (PubChem CID 59941158) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate
PubChem CID59941158
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Namemethyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate
SMILESCOC(=O)CN(C)CCC(Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H24F3NO2/c1-25(15-20(26)27-2)13-12-18(17-6-4-3-5-7-17)14-16-8-10-19(11-9-16)21(22,23)24/h3-11,18H,12-15H2,1-2H3
InChIKeyZCQDHPSVWMQOPG-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate (CID 59941158) is methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate is COC(=O)CN(C)CCC(Cc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate?
The InChIKey is ZCQDHPSVWMQOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-25(15-20(26)27-2)13-12-18(17-6-4-3-5-7-17)14-16-8-10-19(11-9-16)21(22,23)24/h3-11,18H,12-15H2,1-2H3.
What are the key properties of methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate?
methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate has a molecular weight of 379.42 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate is sourced from PubChem (CID 59941158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).