ethyl 3-(benzylamino)-3-phenylpropanoate

C18H21NO2 — CID 12868359

IUPACethyl 3-(benzylamino)-3-phenylpropanoate
SMILESCCOC(=O)CC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-21-18(20)13-17(16-11-7-4-8-12-16)19-14-15-9-5-3-6-10-15/h3-12,17,19H,2,13-14H2,1H3
InChIKeyHWTSKNZDALVKEM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.47
Rot. Bonds7

About ethyl 3-(benzylamino)-3-phenylpropanoate

ethyl 3-(benzylamino)-3-phenylpropanoate (PubChem CID 12868359) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 3-(benzylamino)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-(benzylamino)-3-phenylpropanoate
PubChem CID12868359
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 3-(benzylamino)-3-phenylpropanoate
SMILESCCOC(=O)CC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-21-18(20)13-17(16-11-7-4-8-12-16)19-14-15-9-5-3-6-10-15/h3-12,17,19H,2,13-14H2,1H3
InChIKeyHWTSKNZDALVKEM-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(benzylamino)-3-phenylpropanoate?
The IUPAC name of ethyl 3-(benzylamino)-3-phenylpropanoate (CID 12868359) is ethyl 3-(benzylamino)-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-(benzylamino)-3-phenylpropanoate?
The canonical SMILES for ethyl 3-(benzylamino)-3-phenylpropanoate is CCOC(=O)CC(NCc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-(benzylamino)-3-phenylpropanoate?
The InChIKey is HWTSKNZDALVKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-21-18(20)13-17(16-11-7-4-8-12-16)19-14-15-9-5-3-6-10-15/h3-12,17,19H,2,13-14H2,1H3.
What are the key properties of ethyl 3-(benzylamino)-3-phenylpropanoate?
ethyl 3-(benzylamino)-3-phenylpropanoate has a molecular weight of 283.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(benzylamino)-3-phenylpropanoate is sourced from PubChem (CID 12868359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).