(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide

C16H21F3N2O2 — CID 95979819

IUPAC(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Cc1ccccc1)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-12(9-13-7-5-4-6-8-13)15(23)21(11-16(17,18)19)10-14(22)20(2)3/h4-8,12H,9-11H2,1-3H3/t12-/m1/s1
InChIKeyHDNCDPNOONCECT-GFCCVEGCSA-N
MW330.35 g/mol
LogP2.34
Rot. Bonds6

About (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide

(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95979819) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95979819
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Cc1ccccc1)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-12(9-13-7-5-4-6-8-13)15(23)21(11-16(17,18)19)10-14(22)20(2)3/h4-8,12H,9-11H2,1-3H3/t12-/m1/s1
InChIKeyHDNCDPNOONCECT-GFCCVEGCSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide (CID 95979819) is (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](Cc1ccccc1)C(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HDNCDPNOONCECT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-12(9-13-7-5-4-6-8-13)15(23)21(11-16(17,18)19)10-14(22)20(2)3/h4-8,12H,9-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 330.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95979819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).