propan-2-yl N-phenylcarbamate

C10H13NO2 — CID 24685

IUPACpropan-2-yl N-phenylcarbamate
SMILESCC(C)OC(=O)Nc1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChIKeyVXPLXMJHHKHSOA-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.64
Rot. Bonds2

About propan-2-yl N-phenylcarbamate

propan-2-yl N-phenylcarbamate (PubChem CID 24685) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is propan-2-yl N-phenylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-phenylcarbamate
PubChem CID24685
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namepropan-2-yl N-phenylcarbamate
SMILESCC(C)OC(=O)Nc1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChIKeyVXPLXMJHHKHSOA-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-phenylcarbamate?
The IUPAC name of propan-2-yl N-phenylcarbamate (CID 24685) is propan-2-yl N-phenylcarbamate.
What is the SMILES notation for propan-2-yl N-phenylcarbamate?
The canonical SMILES for propan-2-yl N-phenylcarbamate is CC(C)OC(=O)Nc1ccccc1.
What is the InChIKey of propan-2-yl N-phenylcarbamate?
The InChIKey is VXPLXMJHHKHSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12).
What are the key properties of propan-2-yl N-phenylcarbamate?
propan-2-yl N-phenylcarbamate has a molecular weight of 179.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-phenylcarbamate is sourced from PubChem (CID 24685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).