2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide

C15H27F3N2O2 — CID 75506488

IUPAC2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCCN1C(=O)NC(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C15H27F3N2O2/c1-10(21)8-11-6-5-7-20(11)13(22)19-12(15(16,17)18)9-14(2,3)4/h10-12,21H,5-9H2,1-4H3,(H,19,22)
InChIKeyDAKCTRQDDYAIRC-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.30
Rot. Bonds4

About 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide

2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 75506488) has the molecular formula C15H27F3N2O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
PubChem CID75506488
Molecular FormulaC15H27F3N2O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC Name2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCCN1C(=O)NC(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C15H27F3N2O2/c1-10(21)8-11-6-5-7-20(11)13(22)19-12(15(16,17)18)9-14(2,3)4/h10-12,21H,5-9H2,1-4H3,(H,19,22)
InChIKeyDAKCTRQDDYAIRC-UHFFFAOYSA-N
XLogP3.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75506487
1-[(2-Hydroxycyclohexyl)methyl]-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 75473220
(2R)-2-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75484952
(3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75506491
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97306489
(2R)-2-(hydroxymethyl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97306490
1-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 97341581
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 97341583
(2S)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97831011
(2S)-2-(hydroxymethyl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97831012
(2S)-2-[(2S)-2-hydroxypropyl]-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97831013
(2R)-2-[(2S)-2-hydroxypropyl]-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97831016

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide (CID 75506488) is 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide is CC(O)CC1CCCN1C(=O)NC(CC(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is DAKCTRQDDYAIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O2/c1-10(21)8-11-6-5-7-20(11)13(22)19-12(15(16,17)18)9-14(2,3)4/h10-12,21H,5-9H2,1-4H3,(H,19,22).
What are the key properties of 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide?
2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75506488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).