ethyl N,N-dibutylcarbamate

C11H23NO2 — CID 16674

IUPACethyl N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-7-9-12(10-8-5-2)11(13)14-6-3/h4-10H2,1-3H3
InChIKeyDSICTTBMRSZYJL-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.05
Rot. Bonds7

About ethyl N,N-dibutylcarbamate

ethyl N,N-dibutylcarbamate (PubChem CID 16674) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl N,N-dibutylcarbamate.

Molecular Properties

Compound Nameethyl N,N-dibutylcarbamate
PubChem CID16674
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-7-9-12(10-8-5-2)11(13)14-6-3/h4-10H2,1-3H3
InChIKeyDSICTTBMRSZYJL-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidinecarboxylic acid, ethyl ester
CID 21399
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CID 19083
ethyl N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)carbamate
CID 15065512
1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester
CID 33673
Isopropyl 1-pyrrolidinecarboxylate
CID 79230
Carbamic acid, dipropyl-, ethyl ester
CID 23416
Ethyl diisopropylcarbamate
CID 30213
Ethyl pyrrolidine-1-carboxylate
CID 79614
Ethyl 4-butylpiperazine-1-carboxylate
CID 116092
Dibutoline
CID 10764
Butyl piperidine-1-carboxylate
CID 232662
Butyl pyrrolidine-1-carboxylate
CID 232668

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-dibutylcarbamate?
The IUPAC name of ethyl N,N-dibutylcarbamate (CID 16674) is ethyl N,N-dibutylcarbamate.
What is the SMILES notation for ethyl N,N-dibutylcarbamate?
The canonical SMILES for ethyl N,N-dibutylcarbamate is CCCCN(CCCC)C(=O)OCC.
What is the InChIKey of ethyl N,N-dibutylcarbamate?
The InChIKey is DSICTTBMRSZYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-9-12(10-8-5-2)11(13)14-6-3/h4-10H2,1-3H3.
What are the key properties of ethyl N,N-dibutylcarbamate?
ethyl N,N-dibutylcarbamate has a molecular weight of 201.31 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-dibutylcarbamate is sourced from PubChem (CID 16674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).