(1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate

C18H19NO3 — CID 3421461

IUPAC(1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate
SMILESCC(OC(=O)c1ccccc1CCc1ccccc1)C(N)=O
InChIInChI=1S/C18H19NO3/c1-13(17(19)20)22-18(21)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,19,20)
InChIKeyJFCRIZHYJFGKQC-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.50
Rot. Bonds6

About (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate

(1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate (PubChem CID 3421461) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate
PubChem CID3421461
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate
SMILESCC(OC(=O)c1ccccc1CCc1ccccc1)C(N)=O
InChIInChI=1S/C18H19NO3/c1-13(17(19)20)22-18(21)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,19,20)
InChIKeyJFCRIZHYJFGKQC-UHFFFAOYSA-N
XLogP2.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate (CID 3421461) is (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate is CC(OC(=O)c1ccccc1CCc1ccccc1)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate?
The InChIKey is JFCRIZHYJFGKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(17(19)20)22-18(21)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,19,20).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate?
(1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate has a molecular weight of 297.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate is sourced from PubChem (CID 3421461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).