naphthalen-1-yl N,N-diethylcarbamate

C15H17NO2 — CID 10824499

IUPACnaphthalen-1-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-3-16(4-2)15(17)18-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
InChIKeyPCEIRTKGPDXWOT-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.68
Rot. Bonds3

About naphthalen-1-yl N,N-diethylcarbamate

naphthalen-1-yl N,N-diethylcarbamate (PubChem CID 10824499) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is naphthalen-1-yl N,N-diethylcarbamate.

Molecular Properties

Compound Namenaphthalen-1-yl N,N-diethylcarbamate
PubChem CID10824499
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namenaphthalen-1-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-3-16(4-2)15(17)18-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
InChIKeyPCEIRTKGPDXWOT-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl N,N-diethylcarbamate?
The IUPAC name of naphthalen-1-yl N,N-diethylcarbamate (CID 10824499) is naphthalen-1-yl N,N-diethylcarbamate.
What is the SMILES notation for naphthalen-1-yl N,N-diethylcarbamate?
The canonical SMILES for naphthalen-1-yl N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl N,N-diethylcarbamate?
The InChIKey is PCEIRTKGPDXWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-16(4-2)15(17)18-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3.
What are the key properties of naphthalen-1-yl N,N-diethylcarbamate?
naphthalen-1-yl N,N-diethylcarbamate has a molecular weight of 243.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl N,N-diethylcarbamate is sourced from PubChem (CID 10824499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).