2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide

C17H21F3N4O2 — CID 120588171

IUPAC2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
SMILESCn1ccnc1C(O)(CCNC(=O)C(C)(N)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H21F3N4O2/c1-15(21,12-6-4-3-5-7-12)14(25)23-9-8-16(26,17(18,19)20)13-22-10-11-24(13)2/h3-7,10-11,26H,8-9,21H2,1-2H3,(H,23,25)
InChIKeyHXWNNQYAPUBHKS-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide

2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide (PubChem CID 120588171) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
PubChem CID120588171
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
SMILESCn1ccnc1C(O)(CCNC(=O)C(C)(N)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H21F3N4O2/c1-15(21,12-6-4-3-5-7-12)14(25)23-9-8-16(26,17(18,19)20)13-22-10-11-24(13)2/h3-7,10-11,26H,8-9,21H2,1-2H3,(H,23,25)
InChIKeyHXWNNQYAPUBHKS-UHFFFAOYSA-N
XLogP1.55
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
CID 53327840
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-pentan-3-ylimidazol-4-yl)pentanamide
CID 54585748
(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-N-[1-(1,1-dimethyl-2-pyrrolidin-1-yl-ethyl)-1H-imidazol-4-yl]-2-phenyl-acetamide
CID 54582859
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide
CID 11757575
(2S)-N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 54580879
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide
CID 54581915
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
CID 54585612
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-hydroxy-2-methylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54586727
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(4-hydroxy-2-methylbutan-2-yl)imidazol-4-yl]pentanamide
CID 54586758
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(methylamino)propan-2-yl]imidazol-4-yl]pentanamide
CID 54587782
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(propan-2-ylamino)propan-2-yl]imidazol-4-yl]pentanamide
CID 54587783
N-({1-[4-Hydroxy-4-(1-methyl-1H-imidazol-2-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide
CID 46240582

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide?
The IUPAC name of 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide (CID 120588171) is 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide?
The canonical SMILES for 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide is Cn1ccnc1C(O)(CCNC(=O)C(C)(N)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide?
The InChIKey is HXWNNQYAPUBHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-15(21,12-6-4-3-5-7-12)14(25)23-9-8-16(26,17(18,19)20)13-22-10-11-24(13)2/h3-7,10-11,26H,8-9,21H2,1-2H3,(H,23,25).
What are the key properties of 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide?
2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide has a molecular weight of 370.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide is sourced from PubChem (CID 120588171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).