2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide

C17H23F3N2O4 — CID 134392766

IUPAC2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide
SMILESCC(C)(C)OC(O)NC(C)(C)C(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H23F3N2O4/c1-15(2,3)26-14(25)22-16(4,5)12(23)10-8-6-7-9-11(10)21-13(24)17(18,19)20/h6-9,14,22,25H,1-5H3,(H,21,24)
InChIKeyXCIJQSDEXSPLCI-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.83
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide

2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide (PubChem CID 134392766) has the molecular formula C17H23F3N2O4 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide
PubChem CID134392766
Molecular FormulaC17H23F3N2O4
Molecular Weight376.38 g/mol
Exact Mass376.16
IUPAC Name2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide
SMILESCC(C)(C)OC(O)NC(C)(C)C(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H23F3N2O4/c1-15(2,3)26-14(25)22-16(4,5)12(23)10-8-6-7-9-11(10)21-13(24)17(18,19)20/h6-9,14,22,25H,1-5H3,(H,21,24)
InChIKeyXCIJQSDEXSPLCI-UHFFFAOYSA-N
XLogP2.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[3-(4-fluoroanilino)-2-oxopropanoyl]phenyl]carbamate
CID 172435743
2-(2-acetylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 45798665
tert-butyl N-[4-(5-acetamido-2-benzamido-4,4-difluoro-3-oxopentyl)phenyl]carbamate
CID 14720160
tert-butyl N-[1-[2-(2-fluorobenzoyl)anilino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate
CID 15167788
2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)benzoyl]amino]acetic acid
CID 21991183
tert-butyl N-[2-methyl-1-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propan-2-yl]carbamate
CID 117711466
tert-butyl N-[1-(3-fluoro-2-formamidophenyl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 117711581
tert-butyl N-[1-(2-acetamido-3-fluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 117711582
tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate
CID 134330144
N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide
CID 134392769
N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide
CID 134392770
(2S)-N-(2-benzoyl-4-chlorophenyl)-4,4,4-trifluoro-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide
CID 139424638

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide (CID 134392766) is 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide is CC(C)(C)OC(O)NC(C)(C)C(=O)c1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide?
The InChIKey is XCIJQSDEXSPLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O4/c1-15(2,3)26-14(25)22-16(4,5)12(23)10-8-6-7-9-11(10)21-13(24)17(18,19)20/h6-9,14,22,25H,1-5H3,(H,21,24).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide has a molecular weight of 376.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide is sourced from PubChem (CID 134392766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).