[2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate

C18H19NO3 — CID 7654679

IUPAC[2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(19-13-16-9-5-2-6-10-16)14-22-18(21)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20)
InChIKeyLWHFZJYYAPAVKO-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.48
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate

[2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate (PubChem CID 7654679) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate
PubChem CID7654679
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(19-13-16-9-5-2-6-10-16)14-22-18(21)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20)
InChIKeyLWHFZJYYAPAVKO-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate (CID 7654679) is [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate is O=C(COC(=O)CCc1ccccc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is LWHFZJYYAPAVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(19-13-16-9-5-2-6-10-16)14-22-18(21)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate?
[2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 297.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 7654679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).