benzyl 2-(3-phenylpropanoylamino)acetate

C18H19NO3 — CID 40616533

IUPACbenzyl 2-(3-phenylpropanoylamino)acetate
SMILESO=C(CCc1ccccc1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(12-11-15-7-3-1-4-8-15)19-13-18(21)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20)
InChIKeyORSBKCFHMMVOLT-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.48
Rot. Bonds7

About benzyl 2-(3-phenylpropanoylamino)acetate

benzyl 2-(3-phenylpropanoylamino)acetate (PubChem CID 40616533) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl 2-(3-phenylpropanoylamino)acetate.

Molecular Properties

Compound Namebenzyl 2-(3-phenylpropanoylamino)acetate
PubChem CID40616533
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl 2-(3-phenylpropanoylamino)acetate
SMILESO=C(CCc1ccccc1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(12-11-15-7-3-1-4-8-15)19-13-18(21)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20)
InChIKeyORSBKCFHMMVOLT-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 benzyl 2-(3-phenylpropanoylamino)acetate?
The IUPAC name of benzyl 2-(3-phenylpropanoylamino)acetate (CID 40616533) is benzyl 2-(3-phenylpropanoylamino)acetate.
What is the SMILES notation for benzyl 2-(3-phenylpropanoylamino)acetate?
The canonical SMILES for benzyl 2-(3-phenylpropanoylamino)acetate is O=C(CCc1ccccc1)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(3-phenylpropanoylamino)acetate?
The InChIKey is ORSBKCFHMMVOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(12-11-15-7-3-1-4-8-15)19-13-18(21)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20).
What are the key properties of benzyl 2-(3-phenylpropanoylamino)acetate?
benzyl 2-(3-phenylpropanoylamino)acetate 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 benzyl 2-(3-phenylpropanoylamino)acetate is sourced from PubChem (CID 40616533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).