1,1'-biphenyl;bis(N-methylcarbamate)

C16H18N2O4-2 — CID 21497726

IUPAC1,1'-biphenyl;bis(N-methylcarbamate)
SMILESCNC(=O)[O-].CNC(=O)[O-].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C2H5NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-3-2(4)5/h1-10H;2*3H,1H3,(H,4,5)/p-2
InChIKeyBKMGVNHIPWDFIC-UHFFFAOYSA-L
MW302.33 g/mol
LogP0.45
Rot. Bonds1

About 1,1'-biphenyl;bis(N-methylcarbamate)

1,1'-biphenyl;bis(N-methylcarbamate) (PubChem CID 21497726) has the molecular formula C16H18N2O4-2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1,1'-biphenyl;bis(N-methylcarbamate).

Molecular Properties

Compound Name1,1'-biphenyl;bis(N-methylcarbamate)
PubChem CID21497726
Molecular FormulaC16H18N2O4-2
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1,1'-biphenyl;bis(N-methylcarbamate)
SMILESCNC(=O)[O-].CNC(=O)[O-].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C2H5NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-3-2(4)5/h1-10H;2*3H,1H3,(H,4,5)/p-2
InChIKeyBKMGVNHIPWDFIC-UHFFFAOYSA-L
XLogP0.45
TPSA104.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;bis(N-methylcarbamate)?
The IUPAC name of 1,1'-biphenyl;bis(N-methylcarbamate) (CID 21497726) is 1,1'-biphenyl;bis(N-methylcarbamate).
What is the SMILES notation for 1,1'-biphenyl;bis(N-methylcarbamate)?
The canonical SMILES for 1,1'-biphenyl;bis(N-methylcarbamate) is CNC(=O)[O-].CNC(=O)[O-].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;bis(N-methylcarbamate)?
The InChIKey is BKMGVNHIPWDFIC-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10.2C2H5NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-3-2(4)5/h1-10H;2*3H,1H3,(H,4,5)/p-2.
What are the key properties of 1,1'-biphenyl;bis(N-methylcarbamate)?
1,1'-biphenyl;bis(N-methylcarbamate) has a molecular weight of 302.33 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;bis(N-methylcarbamate) is sourced from PubChem (CID 21497726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).