methyl 3-(benzylamino)-3-phenylpropanoate

C17H19NO2 — CID 10445790

IUPACmethyl 3-(benzylamino)-3-phenylpropanoate
SMILESCOC(=O)CC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-20-17(19)12-16(15-10-6-3-7-11-15)18-13-14-8-4-2-5-9-14/h2-11,16,18H,12-13H2,1H3
InChIKeyNADPDTBTQDLHNI-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.08
Rot. Bonds6

About methyl 3-(benzylamino)-3-phenylpropanoate

methyl 3-(benzylamino)-3-phenylpropanoate (PubChem CID 10445790) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 3-(benzylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(benzylamino)-3-phenylpropanoate
PubChem CID10445790
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 3-(benzylamino)-3-phenylpropanoate
SMILESCOC(=O)CC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-20-17(19)12-16(15-10-6-3-7-11-15)18-13-14-8-4-2-5-9-14/h2-11,16,18H,12-13H2,1H3
InChIKeyNADPDTBTQDLHNI-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylamino)-3-phenylpropanoate?
The IUPAC name of methyl 3-(benzylamino)-3-phenylpropanoate (CID 10445790) is methyl 3-(benzylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl 3-(benzylamino)-3-phenylpropanoate?
The canonical SMILES for methyl 3-(benzylamino)-3-phenylpropanoate is COC(=O)CC(NCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-(benzylamino)-3-phenylpropanoate?
The InChIKey is NADPDTBTQDLHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17(19)12-16(15-10-6-3-7-11-15)18-13-14-8-4-2-5-9-14/h2-11,16,18H,12-13H2,1H3.
What are the key properties of methyl 3-(benzylamino)-3-phenylpropanoate?
methyl 3-(benzylamino)-3-phenylpropanoate has a molecular weight of 269.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylamino)-3-phenylpropanoate is sourced from PubChem (CID 10445790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).