[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate

C25H24N2O4 — CID 2340275

IUPAC[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
SMILESCc1cc(C)cc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H24N2O4/c1-17-13-18(2)15-21(14-17)27-25(30)23(19-9-5-3-6-10-19)31-22(28)16-26-24(29)20-11-7-4-8-12-20/h3-15,23H,16H2,1-2H3,(H,26,29)(H,27,30)/t23-/m0/s1
InChIKeyQUHGVJNSKJCZDF-QHCPKHFHSA-N
MW416.48 g/mol
LogP3.96
Rot. Bonds7

About [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate

[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate (PubChem CID 2340275) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
PubChem CID2340275
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
SMILESCc1cc(C)cc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H24N2O4/c1-17-13-18(2)15-21(14-17)27-25(30)23(19-9-5-3-6-10-19)31-22(28)16-26-24(29)20-11-7-4-8-12-20/h3-15,23H,16H2,1-2H3,(H,26,29)(H,27,30)/t23-/m0/s1
InChIKeyQUHGVJNSKJCZDF-QHCPKHFHSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate 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

[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662521
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536891
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 42963715
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269936
[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate
CID 2496297
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 41071746
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363857
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27323769
(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 42963752
[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 2479919

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
The IUPAC name of [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate (CID 2340275) is [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate.
What is the SMILES notation for [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
The canonical SMILES for [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate is Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
The InChIKey is QUHGVJNSKJCZDF-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-13-18(2)15-21(14-17)27-25(30)23(19-9-5-3-6-10-19)31-22(28)16-26-24(29)20-11-7-4-8-12-20/h3-15,23H,16H2,1-2H3,(H,26,29)(H,27,30)/t23-/m0/s1.
What are the key properties of [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate has a molecular weight of 416.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate is sourced from PubChem (CID 2340275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).