2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C20H28F3N3O — CID 70230686

IUPAC2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCNC(=O)C(N)(c1ccc(C(F)(F)F)cc1)C1CCCCC1N1CCCC1
InChIInChI=1S/C20H28F3N3O/c1-25-18(27)19(24,14-8-10-15(11-9-14)20(21,22)23)16-6-2-3-7-17(16)26-12-4-5-13-26/h8-11,16-17H,2-7,12-13,24H2,1H3,(H,25,27)
InChIKeyWLAFAVSHERUTML-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.26
Rot. Bonds4

About 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide

2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 70230686) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID70230686
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Name2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCNC(=O)C(N)(c1ccc(C(F)(F)F)cc1)C1CCCCC1N1CCCC1
InChIInChI=1S/C20H28F3N3O/c1-25-18(27)19(24,14-8-10-15(11-9-14)20(21,22)23)16-6-2-3-7-17(16)26-12-4-5-13-26/h8-11,16-17H,2-7,12-13,24H2,1H3,(H,25,27)
InChIKeyWLAFAVSHERUTML-UHFFFAOYSA-N
XLogP3.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 70230686) is 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide is CNC(=O)C(N)(c1ccc(C(F)(F)F)cc1)C1CCCCC1N1CCCC1.
What is the InChIKey of 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WLAFAVSHERUTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O/c1-25-18(27)19(24,14-8-10-15(11-9-14)20(21,22)23)16-6-2-3-7-17(16)26-12-4-5-13-26/h8-11,16-17H,2-7,12-13,24H2,1H3,(H,25,27).
What are the key properties of 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(2-pyrrolidin-1-ylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 70230686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).