4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

C16H19F3N2O3 — CID 25162200

IUPAC4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)13-3-1-2-12(10-13)11-20-14(22)4-5-15(23)21-6-8-24-9-7-21/h1-3,10H,4-9,11H2,(H,20,22)
InChIKeyNNKHTCVURVWMRC-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.96
Rot. Bonds5

About 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 25162200) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID25162200
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)13-3-1-2-12(10-13)11-20-14(22)4-5-15(23)21-6-8-24-9-7-21/h1-3,10H,4-9,11H2,(H,20,22)
InChIKeyNNKHTCVURVWMRC-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-((3-(trifluoromethyl)phenyl)methyl)acetamide
CID 53245170
N-cycloheptyl-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 24791971
6-oxo-N-(tetrahydro-2H-pyran-4-ylmethyl)-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24819450
4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide
CID 25162499
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-morpholinoethylamino)-2-phenylacetamide
CID 44413344
(R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-phenylpiperidin-1-yl)ethyl)pent-4-enamide
CID 44415927
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-phenylpiperidin-1-yl)ethyl)pent-4-enamide
CID 44447436
(2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 73212519
N-benzyl-3-(4-morpholinyl)propanamide hydrochloride
CID 2964826
N-(4-fluorobenzyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 3443634

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (CID 25162200) is 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is O=C(CCC(=O)N1CCOCC1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is NNKHTCVURVWMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)13-3-1-2-12(10-13)11-20-14(22)4-5-15(23)21-6-8-24-9-7-21/h1-3,10H,4-9,11H2,(H,20,22).
What are the key properties of 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 344.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 25162200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).