3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide

C21H24F3N3O2 — CID 42703737

IUPAC3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1C(F)(F)F)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H24F3N3O2/c1-14(2)18(19(28)25-13-12-15-8-4-3-5-9-15)27-20(29)26-17-11-7-6-10-16(17)21(22,23)24/h3-11,14,18H,12-13H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyYGOFOQXIGXCVIO-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.21
Rot. Bonds7

About 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide

3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide (PubChem CID 42703737) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide
PubChem CID42703737
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1C(F)(F)F)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H24F3N3O2/c1-14(2)18(19(28)25-13-12-15-8-4-3-5-9-15)27-20(29)26-17-11-7-6-10-16(17)21(22,23)24/h3-11,14,18H,12-13H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyYGOFOQXIGXCVIO-UHFFFAOYSA-N
XLogP4.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide 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

1-[(2S)-3-methylbutan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51944178
4-[2-[[2-(benzylcarbamoylamino)-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 119168687
(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32934158
1-[(2S)-1-hydroxypropan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 79023676
2-(benzylcarbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 55544274
methyl 3-methyl-2-(2-phenylethylcarbamoylamino)butanoate
CID 3952798
3,5,5-trimethyl-N-[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]hexanamide
CID 42703731
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]butan-2-yl]benzamide
CID 34978740
N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide
CID 42704140
2-chloro-N-[3-methyl-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]butan-2-yl]benzamide
CID 55328923
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]-N-(2-phenylethyl)benzamide
CID 1182090
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide?
The IUPAC name of 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide (CID 42703737) is 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide is CC(C)C(NC(=O)Nc1ccccc1C(F)(F)F)C(=O)NCCc1ccccc1.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide?
The InChIKey is YGOFOQXIGXCVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-14(2)18(19(28)25-13-12-15-8-4-3-5-9-15)27-20(29)26-17-11-7-6-10-16(17)21(22,23)24/h3-11,14,18H,12-13H2,1-2H3,(H,25,28)(H2,26,27,29).
What are the key properties of 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide?
3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide has a molecular weight of 407.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide is sourced from PubChem (CID 42703737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).