methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate

C26H24N2O6 — CID 29170764

IUPACmethyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O6/c1-33-26(32)20-12-14-21(15-13-20)27-23(29)17-34-24(30)16-22(18-8-4-2-5-9-18)28-25(31)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,27,29)(H,28,31)/t22-/m1/s1
InChIKeyLKADZSZDVMWXOL-JOCHJYFZSA-N
MW460.49 g/mol
LogP3.52
Rot. Bonds9

About methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate

methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate (PubChem CID 29170764) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
PubChem CID29170764
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Namemethyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O6/c1-33-26(32)20-12-14-21(15-13-20)27-23(29)17-34-24(30)16-22(18-8-4-2-5-9-18)28-25(31)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,27,29)(H,28,31)/t22-/m1/s1
InChIKeyLKADZSZDVMWXOL-JOCHJYFZSA-N
XLogP3.52
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-(2-methylanilino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 2607431
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2519734
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 8809612
[2-(4-tert-butylanilino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132855
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 92535437
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate (CID 29170764) is methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate?
The InChIKey is LKADZSZDVMWXOL-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-33-26(32)20-12-14-21(15-13-20)27-23(29)17-34-24(30)16-22(18-8-4-2-5-9-18)28-25(31)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,27,29)(H,28,31)/t22-/m1/s1.
What are the key properties of methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate has a molecular weight of 460.49 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 29170764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).