acetamido acetate;1,1'-biphenyl

C16H17NO3 — CID 88727809

IUPACacetamido acetate;1,1'-biphenyl
SMILESCC(=O)NOC(C)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H7NO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3(6)5-8-4(2)7/h1-10H;1-2H3,(H,5,6)
InChIKeyJLJYVWRTGIFENG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.95
Rot. Bonds1

About acetamido acetate;1,1'-biphenyl

acetamido acetate;1,1'-biphenyl (PubChem CID 88727809) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is acetamido acetate;1,1'-biphenyl.

Molecular Properties

Compound Nameacetamido acetate;1,1'-biphenyl
PubChem CID88727809
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameacetamido acetate;1,1'-biphenyl
SMILESCC(=O)NOC(C)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H7NO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3(6)5-8-4(2)7/h1-10H;1-2H3,(H,5,6)
InChIKeyJLJYVWRTGIFENG-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetamido acetate;1,1'-biphenyl?
The IUPAC name of acetamido acetate;1,1'-biphenyl (CID 88727809) is acetamido acetate;1,1'-biphenyl.
What is the SMILES notation for acetamido acetate;1,1'-biphenyl?
The canonical SMILES for acetamido acetate;1,1'-biphenyl is CC(=O)NOC(C)=O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of acetamido acetate;1,1'-biphenyl?
The InChIKey is JLJYVWRTGIFENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H7NO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3(6)5-8-4(2)7/h1-10H;1-2H3,(H,5,6).
What are the key properties of acetamido acetate;1,1'-biphenyl?
acetamido acetate;1,1'-biphenyl has a molecular weight of 271.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido acetate;1,1'-biphenyl is sourced from PubChem (CID 88727809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).