phenacyl N,N-diethylcarbamate

C13H17NO3 — CID 138964297

IUPACphenacyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-14(4-2)13(16)17-10-12(15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyKDLKTXNIQGYEQM-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.35
Rot. Bonds5

About phenacyl N,N-diethylcarbamate

phenacyl N,N-diethylcarbamate (PubChem CID 138964297) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is phenacyl N,N-diethylcarbamate.

Molecular Properties

Compound Namephenacyl N,N-diethylcarbamate
PubChem CID138964297
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namephenacyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-14(4-2)13(16)17-10-12(15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyKDLKTXNIQGYEQM-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenacyl N,N-diethylcarbamate?
The IUPAC name of phenacyl N,N-diethylcarbamate (CID 138964297) is phenacyl N,N-diethylcarbamate.
What is the SMILES notation for phenacyl N,N-diethylcarbamate?
The canonical SMILES for phenacyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl N,N-diethylcarbamate?
The InChIKey is KDLKTXNIQGYEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-14(4-2)13(16)17-10-12(15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of phenacyl N,N-diethylcarbamate?
phenacyl N,N-diethylcarbamate has a molecular weight of 235.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl N,N-diethylcarbamate is sourced from PubChem (CID 138964297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).