(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide

C21H26FN3O2 — CID 8767309

IUPAC(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCN(CC(=O)NC(C)(C)C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H26FN3O2/c1-21(2,3)24-18(26)14-25(4)19(15-8-6-5-7-9-15)20(27)23-17-12-10-16(22)11-13-17/h5-13,19H,14H2,1-4H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyJLBBMYTZJNISJI-LJQANCHMSA-N
MW371.46 g/mol
LogP3.35
Rot. Bonds6

About (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide

(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 8767309) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID8767309
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCN(CC(=O)NC(C)(C)C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H26FN3O2/c1-21(2,3)24-18(26)14-25(4)19(15-8-6-5-7-9-15)20(27)23-17-12-10-16(22)11-13-17/h5-13,19H,14H2,1-4H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyJLBBMYTZJNISJI-LJQANCHMSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide 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

(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 9049752
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8767355
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 8766844
(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9289300
2-[ethyl(2-hydroxyethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 110881216
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9053195
2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 4847563
(2S)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8594421
(2S)-N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 90661442
2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 18124307
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N-(3-methoxyphenyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 4883661

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide (CID 8767309) is (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide is CN(CC(=O)NC(C)(C)C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is JLBBMYTZJNISJI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-21(2,3)24-18(26)14-25(4)19(15-8-6-5-7-9-15)20(27)23-17-12-10-16(22)11-13-17/h5-13,19H,14H2,1-4H3,(H,23,27)(H,24,26)/t19-/m1/s1.
What are the key properties of (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide?
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 371.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 8767309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).