N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C20H21F3N2O3 — CID 144699390

IUPACN-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(Cc1ccccc1)NC(=O)CNC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c1-14(11-15-5-3-2-4-6-15)25-19(27)13-24-18(26)12-16-7-9-17(10-8-16)28-20(21,22)23/h2-10,14H,11-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyHNLYWVJPFNVJDP-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.99
Rot. Bonds8

About N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 144699390) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID144699390
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(Cc1ccccc1)NC(=O)CNC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c1-14(11-15-5-3-2-4-6-15)25-19(27)13-24-18(26)12-16-7-9-17(10-8-16)28-20(21,22)23/h2-10,14H,11-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyHNLYWVJPFNVJDP-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
(2S)-3-methyl-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]butanoic acid
CID 119360442
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
(2S)-4-methyl-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pentanoic acid
CID 119361872
2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid
CID 120540878
N-[(2S)-1-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propan-2-yl]propanamide
CID 67419836
trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide
CID 171150496
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288372
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(trifluoromethoxy)benzoate
CID 8661680

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 144699390) is N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is CC(Cc1ccccc1)NC(=O)CNC(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is HNLYWVJPFNVJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-14(11-15-5-3-2-4-6-15)25-19(27)13-24-18(26)12-16-7-9-17(10-8-16)28-20(21,22)23/h2-10,14H,11-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 144699390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).