2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide

C14H17F3N2O3 — CID 119672849

IUPAC2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)22-11-5-3-10(4-6-11)19-13(20)9-18-8-12-2-1-7-21-12/h3-6,12,18H,1-2,7-9H2,(H,19,20)
InChIKeyYPEHOJNUMPJUEF-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.29
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 119672849) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID119672849
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)22-11-5-3-10(4-6-11)19-13(20)9-18-8-12-2-1-7-21-12/h3-6,12,18H,1-2,7-9H2,(H,19,20)
InChIKeyYPEHOJNUMPJUEF-UHFFFAOYSA-N
XLogP2.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119694259
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 119673692
2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2098901

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 119672849) is 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CNCC1CCCO1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is YPEHOJNUMPJUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)22-11-5-3-10(4-6-11)19-13(20)9-18-8-12-2-1-7-21-12/h3-6,12,18H,1-2,7-9H2,(H,19,20).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 318.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 119672849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).