propyl N,N-diethylcarbamate

C8H17NO2 — CID 13314075

IUPACpropyl N,N-diethylcarbamate
SMILESCCCOC(=O)N(CC)CC
InChIInChI=1S/C8H17NO2/c1-4-7-11-8(10)9(5-2)6-3/h4-7H2,1-3H3
InChIKeyRLNCOOCHUNLCAA-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.87
Rot. Bonds4

About propyl N,N-diethylcarbamate

propyl N,N-diethylcarbamate (PubChem CID 13314075) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is propyl N,N-diethylcarbamate.

Molecular Properties

Compound Namepropyl N,N-diethylcarbamate
PubChem CID13314075
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namepropyl N,N-diethylcarbamate
SMILESCCCOC(=O)N(CC)CC
InChIInChI=1S/C8H17NO2/c1-4-7-11-8(10)9(5-2)6-3/h4-7H2,1-3H3
InChIKeyRLNCOOCHUNLCAA-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl N,N-diethylcarbamate?
The IUPAC name of propyl N,N-diethylcarbamate (CID 13314075) is propyl N,N-diethylcarbamate.
What is the SMILES notation for propyl N,N-diethylcarbamate?
The canonical SMILES for propyl N,N-diethylcarbamate is CCCOC(=O)N(CC)CC.
What is the InChIKey of propyl N,N-diethylcarbamate?
The InChIKey is RLNCOOCHUNLCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7-11-8(10)9(5-2)6-3/h4-7H2,1-3H3.
What are the key properties of propyl N,N-diethylcarbamate?
propyl N,N-diethylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N,N-diethylcarbamate is sourced from PubChem (CID 13314075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).