N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C20H24F3N3O2 — CID 151123049

IUPACN-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)CNc1cc(C(C)NC(=O)COc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C20H24F3N3O2/c1-13(2)11-25-18-10-15(8-9-24-18)14(3)26-19(27)12-28-17-7-5-4-6-16(17)20(21,22)23/h4-10,13-14H,11-12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyMSPDASUKILQXAS-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.42
Rot. Bonds8

About N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 151123049) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID151123049
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)CNc1cc(C(C)NC(=O)COc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C20H24F3N3O2/c1-13(2)11-25-18-10-15(8-9-24-18)14(3)26-19(27)12-28-17-7-5-4-6-16(17)20(21,22)23/h4-10,13-14H,11-12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyMSPDASUKILQXAS-UHFFFAOYSA-N
XLogP4.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55607800
1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 151010205
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 42926696
2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 24550111
(2S,3S)-3-methyl-2-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119193813
2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 31183674
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 132652703
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86970855
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088271
2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride
CID 66811171

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 151123049) is N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is CC(C)CNc1cc(C(C)NC(=O)COc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is MSPDASUKILQXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-13(2)11-25-18-10-15(8-9-24-18)14(3)26-19(27)12-28-17-7-5-4-6-16(17)20(21,22)23/h4-10,13-14H,11-12H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 395.43 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 151123049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).