(2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide

C16H21F3N2O2 — CID 95285499

IUPAC(2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-10(21-11(2)22)14(23)20-9-15(3,4)12-6-5-7-13(8-12)16(17,18)19/h5-8,10H,9H2,1-4H3,(H,20,23)(H,21,22)/t10-/m0/s1
InChIKeyHWKWBJGMUNYMFN-JTQLQIEISA-N
MW330.35 g/mol
LogP2.62
Rot. Bonds5

About (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide

(2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide (PubChem CID 95285499) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide
PubChem CID95285499
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-10(21-11(2)22)14(23)20-9-15(3,4)12-6-5-7-13(8-12)16(17,18)19/h5-8,10H,9H2,1-4H3,(H,20,23)(H,21,22)/t10-/m0/s1
InChIKeyHWKWBJGMUNYMFN-JTQLQIEISA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
(2S)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95334304
1-(3-hydroxybutyl)-3-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]urea
CID 111337389
(2R)-N-ethyl-2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]propanamide
CID 8750344
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
3-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122000298
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119316502
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
3-[[(2S)-2-acetamidopropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 87040115
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride
CID 119316501

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide?
The IUPAC name of (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide (CID 95285499) is (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide?
The canonical SMILES for (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide is CC(=O)N[C@@H](C)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide?
The InChIKey is HWKWBJGMUNYMFN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-10(21-11(2)22)14(23)20-9-15(3,4)12-6-5-7-13(8-12)16(17,18)19/h5-8,10H,9H2,1-4H3,(H,20,23)(H,21,22)/t10-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide?
(2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide is sourced from PubChem (CID 95285499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).