[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate

C27H26N2O5 — CID 41020663

IUPAC[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESCc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)CNC(=O)Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O5/c1-19-12-14-21(15-13-19)26(33)27(22-10-6-3-7-11-22)34-25(32)18-29-24(31)17-28-23(30)16-20-8-4-2-5-9-20/h2-15,27H,16-18H2,1H3,(H,28,30)(H,29,31)/t27-/m0/s1
InChIKeyIWLLHXMQPNSSPM-MHZLTWQESA-N
MW458.51 g/mol
LogP2.94
Rot. Bonds10

About [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate

[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (PubChem CID 41020663) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
PubChem CID41020663
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESCc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)CNC(=O)Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O5/c1-19-12-14-21(15-13-19)26(33)27(22-10-6-3-7-11-22)34-25(32)18-29-24(31)17-28-23(30)16-20-8-4-2-5-9-20/h2-15,27H,16-18H2,1H3,(H,28,30)(H,29,31)/t27-/m0/s1
InChIKeyIWLLHXMQPNSSPM-MHZLTWQESA-N
XLogP2.94
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate with MolForge

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Related Compounds

[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 2926086
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331100
[(1R)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 41313455
benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
CID 4223105
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[(2-phenylacetyl)amino]acetate
CID 3549856
[(1R)-2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331010
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41330698
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 4661441

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The IUPAC name of [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (CID 41020663) is [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is Cc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)CNC(=O)Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The InChIKey is IWLLHXMQPNSSPM-MHZLTWQESA-N. The full InChI is InChI=1S/C27H26N2O5/c1-19-12-14-21(15-13-19)26(33)27(22-10-6-3-7-11-22)34-25(32)18-29-24(31)17-28-23(30)16-20-8-4-2-5-9-20/h2-15,27H,16-18H2,1H3,(H,28,30)(H,29,31)/t27-/m0/s1.
What are the key properties of [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate has a molecular weight of 458.51 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 41020663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).