ethyl N-propylcarbamate

C6H13NO2 — CID 12199

IUPACethyl N-propylcarbamate
SMILESCCCNC(=O)OCC
InChIInChI=1S/C6H13NO2/c1-3-5-7-6(8)9-4-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyGTOKAWYXANYGFG-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.14
Rot. Bonds3

About ethyl N-propylcarbamate

ethyl N-propylcarbamate (PubChem CID 12199) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethyl N-propylcarbamate.

Molecular Properties

Compound Nameethyl N-propylcarbamate
PubChem CID12199
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethyl N-propylcarbamate
SMILESCCCNC(=O)OCC
InChIInChI=1S/C6H13NO2/c1-3-5-7-6(8)9-4-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyGTOKAWYXANYGFG-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
2-hydroxyethyl N-propylcarbamate
CID 15560805
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
CID 126540668
ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
CID 71777323
azane;ethyl N-ethylcarbamate
CID 88547448
ethenoxyethane;ethyl N-propylcarbamate;triethoxysilane
CID 173332576
ethyl N-(propylamino)carbamate
CID 88968739
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662

Frequently Asked Questions

What is the IUPAC name of ethyl N-propylcarbamate?
The IUPAC name of ethyl N-propylcarbamate (CID 12199) is ethyl N-propylcarbamate.
What is the SMILES notation for ethyl N-propylcarbamate?
The canonical SMILES for ethyl N-propylcarbamate is CCCNC(=O)OCC.
What is the InChIKey of ethyl N-propylcarbamate?
The InChIKey is GTOKAWYXANYGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5-7-6(8)9-4-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of ethyl N-propylcarbamate?
ethyl N-propylcarbamate has a molecular weight of 131.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propylcarbamate is sourced from PubChem (CID 12199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).