2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C28H33F3N6O4 — CID 59102966

IUPAC2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCN(C)C(=O)C(c1ccccc1C(F)(F)F)n1cnc(NC(=O)[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)c1
InChIInChI=1S/C28H33F3N6O4/c1-27(2,32)26(40)34-21(16-41-15-18-10-6-5-7-11-18)24(38)35-22-14-37(17-33-22)23(25(39)36(3)4)19-12-8-9-13-20(19)28(29,30)31/h5-14,17,21,23H,15-16,32H2,1-4H3,(H,34,40)(H,35,38)/t21-,23?/m1/s1
InChIKeyBRVSNBBWCNOZDL-FKHAVUOCSA-N
MW574.60 g/mol
LogP2.96
Rot. Bonds11

About 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 59102966) has the molecular formula C28H33F3N6O4 and a molecular weight of 574.60 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
PubChem CID59102966
Molecular FormulaC28H33F3N6O4
Molecular Weight574.60 g/mol
Exact Mass574.25
IUPAC Name2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCN(C)C(=O)C(c1ccccc1C(F)(F)F)n1cnc(NC(=O)[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)c1
InChIInChI=1S/C28H33F3N6O4/c1-27(2,32)26(40)34-21(16-41-15-18-10-6-5-7-11-18)24(38)35-22-14-37(17-33-22)23(25(39)36(3)4)19-12-8-9-13-20(19)28(29,30)31/h5-14,17,21,23H,15-16,32H2,1-4H3,(H,34,40)(H,35,38)/t21-,23?/m1/s1
InChIKeyBRVSNBBWCNOZDL-FKHAVUOCSA-N
XLogP2.96
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.60
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide 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)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one
CID 11123769
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 16668733
2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 9849290
2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 10368482
2-[2-(3,5-Difluoro-phenyl)-2-hydroxy-acetylamino]-pentanoic acid [1-(1,1-dimethyl-2-morpholin-4-yl-ethyl)-1H-imidazol-4-yl]-amide
CID 11584070
2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 11756146
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]imidazol-4-yl]pentanamide
CID 16113793
(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoic acid {1-[1-(4-fluoro-phenyl)-2-hydroxy-ethyl]-1H-imidazol-4-yl}-amide
CID 16113900
(2R)-3,3,3-trifluoro-2-methoxy-N-[(16R)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-16-yl]-2-phenylpropanamide
CID 18665078
(2R)-3,3,3-trifluoro-2-methoxy-N-[(16S)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-16-yl]-2-phenylpropanamide
CID 18665079
N-[1-[[1-[[1-[2-(dimethylamino)-1-(4-fluorophenyl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-methylboronamidic acid
CID 20710746
2-[2-Fluoro-4-(trifluoromethyl)phenyl]-2-[4-[[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxypropanoyl]amino]imidazol-1-yl]acetic acid
CID 20710844

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 59102966) is 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is CN(C)C(=O)C(c1ccccc1C(F)(F)F)n1cnc(NC(=O)[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)c1.
What is the InChIKey of 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The InChIKey is BRVSNBBWCNOZDL-FKHAVUOCSA-N. The full InChI is InChI=1S/C28H33F3N6O4/c1-27(2,32)26(40)34-21(16-41-15-18-10-6-5-7-11-18)24(38)35-22-14-37(17-33-22)23(25(39)36(3)4)19-12-8-9-13-20(19)28(29,30)31/h5-14,17,21,23H,15-16,32H2,1-4H3,(H,34,40)(H,35,38)/t21-,23?/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 574.60 g/mol, XLogP of 2.96, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 59102966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).