2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide

C16H22F3N3O2 — CID 174903209

IUPAC2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NC(Cc1ccccc1C(F)(F)F)C(N)=O
InChIInChI=1S/C16H22F3N3O2/c1-9(2)7-12(20)15(24)22-13(14(21)23)8-10-5-3-4-6-11(10)16(17,18)19/h3-6,9,12-13H,7-8,20H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyXZVKEEQJAWPWPO-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.59
Rot. Bonds7

About 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide

2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide (PubChem CID 174903209) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide
PubChem CID174903209
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NC(Cc1ccccc1C(F)(F)F)C(N)=O
InChIInChI=1S/C16H22F3N3O2/c1-9(2)7-12(20)15(24)22-13(14(21)23)8-10-5-3-4-6-11(10)16(17,18)19/h3-6,9,12-13H,7-8,20H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyXZVKEEQJAWPWPO-UHFFFAOYSA-N
XLogP1.59
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(propan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 148776876
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 7282367
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid;urea
CID 174908772
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
CID 134827658
2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 172569317
2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 21262270
(2S)-2-amino-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 18394511
methyl 2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoate;hydrochloride
CID 52993176
(2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 70616722
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide (CID 174903209) is 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide is CC(C)CC(N)C(=O)NC(Cc1ccccc1C(F)(F)F)C(N)=O.
What is the InChIKey of 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide?
The InChIKey is XZVKEEQJAWPWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-9(2)7-12(20)15(24)22-13(14(21)23)8-10-5-3-4-6-11(10)16(17,18)19/h3-6,9,12-13H,7-8,20H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide?
2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide has a molecular weight of 345.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-amino-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 174903209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).