(3-ethyloxetan-3-yl)methyl N-butylcarbamate

C11H21NO3 — CID 20682757

IUPAC(3-ethyloxetan-3-yl)methyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1(CC)COC1
InChIInChI=1S/C11H21NO3/c1-3-5-6-12-10(13)15-9-11(4-2)7-14-8-11/h3-9H2,1-2H3,(H,12,13)
InChIKeySOWNOGYOWCJDAC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.94
Rot. Bonds6

About (3-ethyloxetan-3-yl)methyl N-butylcarbamate

(3-ethyloxetan-3-yl)methyl N-butylcarbamate (PubChem CID 20682757) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methyl N-butylcarbamate.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methyl N-butylcarbamate
PubChem CID20682757
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(3-ethyloxetan-3-yl)methyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1(CC)COC1
InChIInChI=1S/C11H21NO3/c1-3-5-6-12-10(13)15-9-11(4-2)7-14-8-11/h3-9H2,1-2H3,(H,12,13)
InChIKeySOWNOGYOWCJDAC-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]methyl]oxetane;(3-ethyloxetan-3-yl)methanol;(3-ethyloxetan-3-yl)methyl N-butylcarbamate;3-ethyl-3-(phenoxymethyl)oxetane
CID 159398466
aminomethyl N-butylcarbamate
CID 139491046
[(1R,2S,4R)-2-acetyl-2-bicyclo[2.2.1]hept-5-enyl]methyl N-butylcarbamate
CID 12893821
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
(3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate
CID 58963663
phosphanyl N-butylcarbamate
CID 89204581
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
[(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methyl N-octadecylcarbamate
CID 14670278
2-iodopropyl N-butylcarbamate
CID 175153431
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
[1-ethyl-2,3-bis(tetradecylcarbamoyloxy)cyclopropyl]methyl N-tetradecylcarbamate
CID 59982807
2-(propylamino)ethyl N-butylcarbamate
CID 79338122

Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methyl N-butylcarbamate?
The IUPAC name of (3-ethyloxetan-3-yl)methyl N-butylcarbamate (CID 20682757) is (3-ethyloxetan-3-yl)methyl N-butylcarbamate.
What is the SMILES notation for (3-ethyloxetan-3-yl)methyl N-butylcarbamate?
The canonical SMILES for (3-ethyloxetan-3-yl)methyl N-butylcarbamate is CCCCNC(=O)OCC1(CC)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methyl N-butylcarbamate?
The InChIKey is SOWNOGYOWCJDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-5-6-12-10(13)15-9-11(4-2)7-14-8-11/h3-9H2,1-2H3,(H,12,13).
What are the key properties of (3-ethyloxetan-3-yl)methyl N-butylcarbamate?
(3-ethyloxetan-3-yl)methyl N-butylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methyl N-butylcarbamate is sourced from PubChem (CID 20682757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).