2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride

C14H26Cl2F3N3O2 — CID 120798463

IUPAC2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCC1CCN(CC(F)(F)F)C1)C1CCOCC1
InChIInChI=1S/C14H24F3N3O2.2ClH/c15-14(16,17)9-20-4-1-10(8-20)7-19-13(21)12(18)11-2-5-22-6-3-11;;/h10-12H,1-9,18H2,(H,19,21);2*1H
InChIKeyOCWUWXXEFSGUSF-UHFFFAOYSA-N
MW396.28 g/mol
LogP1.58
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride (PubChem CID 120798463) has the molecular formula C14H26Cl2F3N3O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
PubChem CID120798463
Molecular FormulaC14H26Cl2F3N3O2
Molecular Weight396.28 g/mol
Exact Mass395.14
IUPAC Name2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCC1CCN(CC(F)(F)F)C1)C1CCOCC1
InChIInChI=1S/C14H24F3N3O2.2ClH/c15-14(16,17)9-20-4-1-10(8-20)7-19-13(21)12(18)11-2-5-22-6-3-11;;/h10-12H,1-9,18H2,(H,19,21);2*1H
InChIKeyOCWUWXXEFSGUSF-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120798468
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798977
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 104684171
2-amino-3-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854666
2-amino-2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120669768
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
CID 120789401
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 99827639
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120800182
2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide
CID 60856801

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride (CID 120798463) is 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCC1CCN(CC(F)(F)F)C1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride?
The InChIKey is OCWUWXXEFSGUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2.2ClH/c15-14(16,17)9-20-4-1-10(8-20)7-19-13(21)12(18)11-2-5-22-6-3-11;;/h10-12H,1-9,18H2,(H,19,21);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride has a molecular weight of 396.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 120798463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).