2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide

C19H22F3N3O2 — CID 56741357

IUPAC2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
SMILESCC(C)C(C)(N)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O2/c1-12(2)18(3,23)17(26)25-11-13-6-5-9-24-16(13)27-15-8-4-7-14(10-15)19(20,21)22/h4-10,12H,11,23H2,1-3H3,(H,25,26)
InChIKeyOGCSNJJHXLMGFA-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.88
Rot. Bonds6

About 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide

2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide (PubChem CID 56741357) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
PubChem CID56741357
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
SMILESCC(C)C(C)(N)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O2/c1-12(2)18(3,23)17(26)25-11-13-6-5-9-24-16(13)27-15-8-4-7-14(10-15)19(20,21)22/h4-10,12H,11,23H2,1-3H3,(H,25,26)
InChIKeyOGCSNJJHXLMGFA-UHFFFAOYSA-N
XLogP3.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide with MolForge

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Related Compounds

(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 56748506
N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
CID 42595685
3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 42519424
(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 56751667
3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 25289476
N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42595092
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide?
The IUPAC name of 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide (CID 56741357) is 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide is CC(C)C(C)(N)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide?
The InChIKey is OGCSNJJHXLMGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-12(2)18(3,23)17(26)25-11-13-6-5-9-24-16(13)27-15-8-4-7-14(10-15)19(20,21)22/h4-10,12H,11,23H2,1-3H3,(H,25,26).
What are the key properties of 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide?
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide has a molecular weight of 381.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 56741357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).