methyl 3-anilino-3-phenylpropanoate

C16H17NO2 — CID 11107929

IUPACmethyl 3-anilino-3-phenylpropanoate
SMILESCOC(=O)CC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)12-15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3
InChIKeyRPZKFVJBHMVQHW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.40
Rot. Bonds5

About methyl 3-anilino-3-phenylpropanoate

methyl 3-anilino-3-phenylpropanoate (PubChem CID 11107929) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 3-anilino-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-anilino-3-phenylpropanoate
PubChem CID11107929
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 3-anilino-3-phenylpropanoate
SMILESCOC(=O)CC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)12-15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3
InChIKeyRPZKFVJBHMVQHW-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-anilino-3-phenylpropanoate?
The IUPAC name of methyl 3-anilino-3-phenylpropanoate (CID 11107929) is methyl 3-anilino-3-phenylpropanoate.
What is the SMILES notation for methyl 3-anilino-3-phenylpropanoate?
The canonical SMILES for methyl 3-anilino-3-phenylpropanoate is COC(=O)CC(Nc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-anilino-3-phenylpropanoate?
The InChIKey is RPZKFVJBHMVQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16(18)12-15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3.
What are the key properties of methyl 3-anilino-3-phenylpropanoate?
methyl 3-anilino-3-phenylpropanoate has a molecular weight of 255.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-anilino-3-phenylpropanoate is sourced from PubChem (CID 11107929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).