N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C19H27F3N2O — CID 15130813

IUPACN-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H27F3N2O/c1-14(2)17(13-24-10-4-5-11-24)23(3)18(25)12-15-6-8-16(9-7-15)19(20,21)22/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1
InChIKeyQEWBPSJNNVONFC-QGZVFWFLSA-N
MW356.43 g/mol
LogP3.83
Rot. Bonds6

About N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 15130813) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID15130813
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC NameN-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H27F3N2O/c1-14(2)17(13-24-10-4-5-11-24)23(3)18(25)12-15-6-8-16(9-7-15)19(20,21)22/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1
InChIKeyQEWBPSJNNVONFC-QGZVFWFLSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 15130813) is N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QEWBPSJNNVONFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27F3N2O/c1-14(2)17(13-24-10-4-5-11-24)23(3)18(25)12-15-6-8-16(9-7-15)19(20,21)22/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1.
What are the key properties of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 15130813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).