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

Name: Methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₆H₂₄N₂O₆ — CID 29170764

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
PubChem CID	29170764
Molecular Formula	C₂₆H₂₄N₂O₆
Molecular Weight	460.49 g/mol
Exact Mass	460.16
IUPAC Name	methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
SMILES	COC(=O)c1ccc(NC(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChI	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
InChIKey	LKADZSZDVMWXOL-JOCHJYFZSA-N
XLogP	3.52
TPSA	110.80 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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).

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Sources

PubChem CID 29170764 — identifiers, structure, computed properties (public domain)

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