2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide

C19H22F3N3O2 — CID 42599594

IUPAC2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2cnc(OCC(F)(F)F)cn2)cc1
InChIInChI=1S/C19H22F3N3O2/c1-12(2)15-6-4-14(5-7-15)8-17(26)25-13(3)16-9-24-18(10-23-16)27-11-19(20,21)22/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,25,26)/t13-/m1/s1
InChIKeyCGZDHUYJNMAVDF-CYBMUJFWSA-N
MW381.40 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide

2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide (PubChem CID 42599594) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide
PubChem CID42599594
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2cnc(OCC(F)(F)F)cn2)cc1
InChIInChI=1S/C19H22F3N3O2/c1-12(2)15-6-4-14(5-7-15)8-17(26)25-13(3)16-9-24-18(10-23-16)27-11-19(20,21)22/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,25,26)/t13-/m1/s1
InChIKeyCGZDHUYJNMAVDF-CYBMUJFWSA-N
XLogP3.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide (CID 42599594) is 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide is CC(C)c1ccc(CC(=O)N[C@H](C)c2cnc(OCC(F)(F)F)cn2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide?
The InChIKey is CGZDHUYJNMAVDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-12(2)15-6-4-14(5-7-15)8-17(26)25-13(3)16-9-24-18(10-23-16)27-11-19(20,21)22/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,25,26)/t13-/m1/s1.
What are the key properties of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide?
2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]acetamide is sourced from PubChem (CID 42599594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).