methyl 3-benzamido-3-phenylpropanoate

C17H17NO3 — CID 555448

IUPACmethyl 3-benzamido-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-16(19)12-15(13-8-4-2-5-9-13)18-17(20)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,20)
InChIKeyMZWHJSCEBUEVLY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.72
Rot. Bonds5

About methyl 3-benzamido-3-phenylpropanoate

methyl 3-benzamido-3-phenylpropanoate (PubChem CID 555448) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-benzamido-3-phenylpropanoate
PubChem CID555448
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-benzamido-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-16(19)12-15(13-8-4-2-5-9-13)18-17(20)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,20)
InChIKeyMZWHJSCEBUEVLY-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-benzamido-3-phenylpropanoate?
The IUPAC name of methyl 3-benzamido-3-phenylpropanoate (CID 555448) is methyl 3-benzamido-3-phenylpropanoate.
What is the SMILES notation for methyl 3-benzamido-3-phenylpropanoate?
The canonical SMILES for methyl 3-benzamido-3-phenylpropanoate is COC(=O)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-benzamido-3-phenylpropanoate?
The InChIKey is MZWHJSCEBUEVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-16(19)12-15(13-8-4-2-5-9-13)18-17(20)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,20).
What are the key properties of methyl 3-benzamido-3-phenylpropanoate?
methyl 3-benzamido-3-phenylpropanoate has a molecular weight of 283.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 555448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).