2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide

C20H28F3N3O2 — CID 146089262

IUPAC2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H28F3N3O2/c1-19(2,28)17-4-3-10-26(17)18(27)24-16-9-11-25(13-16)12-14-5-7-15(8-6-14)20(21,22)23/h5-8,16-17,28H,3-4,9-13H2,1-2H3,(H,24,27)
InChIKeyBPSZKKQRCKIDAL-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.22
Rot. Bonds4

About 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide

2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 146089262) has the molecular formula C20H28F3N3O2 and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID146089262
Molecular FormulaC20H28F3N3O2
Molecular Weight399.46 g/mol
Exact Mass399.21
IUPAC Name2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H28F3N3O2/c1-19(2,28)17-4-3-10-26(17)18(27)24-16-9-11-25(13-16)12-14-5-7-15(8-6-14)20(21,22)23/h5-8,16-17,28H,3-4,9-13H2,1-2H3,(H,24,27)
InChIKeyBPSZKKQRCKIDAL-UHFFFAOYSA-N
XLogP3.22
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 96547753
1-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119888114
2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol
CID 167878081
1,2-diethyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine
CID 111922891
3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 119888128
2-methyl-1-(2-methylcyclopropyl)-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine
CID 111922769
3-[[ethylamino-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methylidene]amino]-N-propan-2-ylpropanamide
CID 111922955
(2S,5R)-5-(aminomethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxolane-2-carboxamide;dihydrochloride
CID 120800683
N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 42358991
2-methyl-1-(2-methylpropyl)-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923170
2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 142457657
N-[2-[[ethylamino-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111923190

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 146089262) is 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide is CC(C)(O)C1CCCN1C(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is BPSZKKQRCKIDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2/c1-19(2,28)17-4-3-10-26(17)18(27)24-16-9-11-25(13-16)12-14-5-7-15(8-6-14)20(21,22)23/h5-8,16-17,28H,3-4,9-13H2,1-2H3,(H,24,27).
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146089262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).