(2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C28H30F3NO2 — CID 68727751

IUPAC(2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@H](OC(C)C)c2ccccc2)cc1C
InChIInChI=1S/C28H30F3NO2/c1-19(2)34-26(23-8-6-5-7-9-23)27(33)32(25-15-10-20(3)21(4)18-25)17-16-22-11-13-24(14-12-22)28(29,30)31/h5-15,18-19,26H,16-17H2,1-4H3/t26-/m1/s1
InChIKeyMBYBMEBFZHRGCI-AREMUKBSSA-N
MW469.55 g/mol
LogP7.06
Rot. Bonds8

About (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

(2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 68727751) has the molecular formula C28H30F3NO2 and a molecular weight of 469.55 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID68727751
Molecular FormulaC28H30F3NO2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name(2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@H](OC(C)C)c2ccccc2)cc1C
InChIInChI=1S/C28H30F3NO2/c1-19(2)34-26(23-8-6-5-7-9-23)27(33)32(25-15-10-20(3)21(4)18-25)17-16-22-11-13-24(14-12-22)28(29,30)31/h5-15,18-19,26H,16-17H2,1-4H3/t26-/m1/s1
InChIKeyMBYBMEBFZHRGCI-AREMUKBSSA-N
XLogP7.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 68727751) is (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is Cc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@H](OC(C)C)c2ccccc2)cc1C.
What is the InChIKey of (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is MBYBMEBFZHRGCI-AREMUKBSSA-N. The full InChI is InChI=1S/C28H30F3NO2/c1-19(2)34-26(23-8-6-5-7-9-23)27(33)32(25-15-10-20(3)21(4)18-25)17-16-22-11-13-24(14-12-22)28(29,30)31/h5-15,18-19,26H,16-17H2,1-4H3/t26-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
(2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 469.55 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethylphenyl)-2-phenyl-2-propan-2-yloxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 68727751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).