phenyl N,N-diethylcarbamate

C11H15NO2 — CID 567781

IUPACphenyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-12(4-2)11(13)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyXOIJDIYJCTXRQR-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.53
Rot. Bonds3

About phenyl N,N-diethylcarbamate

phenyl N,N-diethylcarbamate (PubChem CID 567781) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is phenyl N,N-diethylcarbamate.

Molecular Properties

Compound Namephenyl N,N-diethylcarbamate
PubChem CID567781
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namephenyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-12(4-2)11(13)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyXOIJDIYJCTXRQR-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl N,N-diethylcarbamate?
The IUPAC name of phenyl N,N-diethylcarbamate (CID 567781) is phenyl N,N-diethylcarbamate.
What is the SMILES notation for phenyl N,N-diethylcarbamate?
The canonical SMILES for phenyl N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N,N-diethylcarbamate?
The InChIKey is XOIJDIYJCTXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-12(4-2)11(13)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of phenyl N,N-diethylcarbamate?
phenyl N,N-diethylcarbamate has a molecular weight of 193.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N,N-diethylcarbamate is sourced from PubChem (CID 567781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).