[(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate

C26H26N2O4 — CID 57396630

IUPAC[(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESC[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-19(27-24(29)21-13-7-3-8-14-21)18-32-26(31)23(17-20-11-5-2-6-12-20)28-25(30)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,27,29)(H,28,30)/t19-,23+/m1/s1
InChIKeyOLPSTWWOAPXNKC-XXBNENTESA-N
MW430.50 g/mol
LogP3.39
Rot. Bonds9

About [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate

[(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate (PubChem CID 57396630) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate
PubChem CID57396630
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name[(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESC[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-19(27-24(29)21-13-7-3-8-14-21)18-32-26(31)23(17-20-11-5-2-6-12-20)28-25(30)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,27,29)(H,28,30)/t19-,23+/m1/s1
InChIKeyOLPSTWWOAPXNKC-XXBNENTESA-N
XLogP3.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate?
The IUPAC name of [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate (CID 57396630) is [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate is C[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate?
The InChIKey is OLPSTWWOAPXNKC-XXBNENTESA-N. The full InChI is InChI=1S/C26H26N2O4/c1-19(27-24(29)21-13-7-3-8-14-21)18-32-26(31)23(17-20-11-5-2-6-12-20)28-25(30)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,27,29)(H,28,30)/t19-,23+/m1/s1.
What are the key properties of [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate?
[(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate has a molecular weight of 430.50 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 57396630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).