2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H24F3N3O3 — CID 8710734

IUPAC2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O3/c1-11(2)12(3)21-15(24)9-23(4)10-16(25)22-13-5-7-14(8-6-13)26-17(18,19)20/h5-8,11-12H,9-10H2,1-4H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyFMZUTWUMWPTZQP-LBPRGKRZSA-N
MW375.39 g/mol
LogP2.62
Rot. Bonds8

About 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 8710734) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID8710734
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O3/c1-11(2)12(3)21-15(24)9-23(4)10-16(25)22-13-5-7-14(8-6-13)26-17(18,19)20/h5-8,11-12H,9-10H2,1-4H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyFMZUTWUMWPTZQP-LBPRGKRZSA-N
XLogP2.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366154
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2699943
3-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]propane-1-sulfonic acid
CID 8642094
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366090
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641907
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
(2S)-N-(4-acetylphenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]propanamide
CID 31390162
2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641948
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 8710734) is 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is CC(C)[C@H](C)NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FMZUTWUMWPTZQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-11(2)12(3)21-15(24)9-23(4)10-16(25)22-13-5-7-14(8-6-13)26-17(18,19)20/h5-8,11-12H,9-10H2,1-4H3,(H,21,24)(H,22,25)/t12-/m0/s1.
What are the key properties of 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 375.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 8710734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).