N-(1-acetamido-2-oxo-2-phenylethyl)acetamide

C12H14N2O3 — CID 843399

IUPACN-(1-acetamido-2-oxo-2-phenylethyl)acetamide
SMILESCC(=O)NC(NC(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-8(15)13-12(14-9(2)16)11(17)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,13,15)(H,14,16)
InChIKeyAJBTZVMOPNWPJO-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.47
Rot. Bonds4

About N-(1-acetamido-2-oxo-2-phenylethyl)acetamide

N-(1-acetamido-2-oxo-2-phenylethyl)acetamide (PubChem CID 843399) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(1-acetamido-2-oxo-2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(1-acetamido-2-oxo-2-phenylethyl)acetamide
PubChem CID843399
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(1-acetamido-2-oxo-2-phenylethyl)acetamide
SMILESCC(=O)NC(NC(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-8(15)13-12(14-9(2)16)11(17)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,13,15)(H,14,16)
InChIKeyAJBTZVMOPNWPJO-UHFFFAOYSA-N
XLogP0.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-acetamido-2-oxo-2-phenylethyl)acetamide 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 N-(1-acetamido-2-oxo-2-phenylethyl)acetamide?
The IUPAC name of N-(1-acetamido-2-oxo-2-phenylethyl)acetamide (CID 843399) is N-(1-acetamido-2-oxo-2-phenylethyl)acetamide.
What is the SMILES notation for N-(1-acetamido-2-oxo-2-phenylethyl)acetamide?
The canonical SMILES for N-(1-acetamido-2-oxo-2-phenylethyl)acetamide is CC(=O)NC(NC(C)=O)C(=O)c1ccccc1.
What is the InChIKey of N-(1-acetamido-2-oxo-2-phenylethyl)acetamide?
The InChIKey is AJBTZVMOPNWPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(15)13-12(14-9(2)16)11(17)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(1-acetamido-2-oxo-2-phenylethyl)acetamide?
N-(1-acetamido-2-oxo-2-phenylethyl)acetamide has a molecular weight of 234.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamido-2-oxo-2-phenylethyl)acetamide is sourced from PubChem (CID 843399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).