N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C19H21F3N2O3 — CID 78877751

IUPACN-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)COc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-14(2)11-24(13-19(20,21)22)18(25)12-26-15-6-8-16(9-7-15)27-17-5-3-4-10-23-17/h3-10,14H,11-13H2,1-2H3
InChIKeyBYXGBASKYLUXIP-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.30
Rot. Bonds8

About N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78877751) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78877751
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC NameN-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)COc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-14(2)11-24(13-19(20,21)22)18(25)12-26-15-6-8-16(9-7-15)27-17-5-3-4-10-23-17/h3-10,14H,11-13H2,1-2H3
InChIKeyBYXGBASKYLUXIP-UHFFFAOYSA-N
XLogP4.30
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78901000
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119652511
2-[methyl-[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]acetamide
CID 56809048
2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31841903
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36621925
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86920381
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739
2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81312040
2-(6-acetyl-2,3-dichlorophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86885112
3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid
CID 120531785

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 78877751) is N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)COc1ccc(Oc2ccccn2)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BYXGBASKYLUXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-14(2)11-24(13-19(20,21)22)18(25)12-26-15-6-8-16(9-7-15)27-17-5-3-4-10-23-17/h3-10,14H,11-13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 382.38 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78877751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).