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

C25H24N2O4 — CID 42908944

IUPACmethyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-31-25(30)21-14-12-19(13-15-21)17-26-24(29)22(16-18-8-4-2-5-9-18)27-23(28)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyCPDNPSLZOVCNGE-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.13
Rot. Bonds8

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

methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate (PubChem CID 42908944) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate
PubChem CID42908944
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Namemethyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-31-25(30)21-14-12-19(13-15-21)17-26-24(29)22(16-18-8-4-2-5-9-18)27-23(28)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyCPDNPSLZOVCNGE-UHFFFAOYSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate (CID 42908944) is methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate?
The InChIKey is CPDNPSLZOVCNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-31-25(30)21-14-12-19(13-15-21)17-26-24(29)22(16-18-8-4-2-5-9-18)27-23(28)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate?
methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate has a molecular weight of 416.48 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-benzamido-3-phenylpropanoyl)amino]methyl]benzoate is sourced from PubChem (CID 42908944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).