tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate

C14H25NO3 — CID 165468490

IUPACtert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate
SMILESCCN(CC(=O)C1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-5-15(13(17)18-14(2,3)4)10-12(16)11-8-6-7-9-11/h11H,5-10H2,1-4H3
InChIKeyJQYCXYVOZBBFJH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.00
Rot. Bonds4

About tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate

tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate (PubChem CID 165468490) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate
PubChem CID165468490
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate
SMILESCCN(CC(=O)C1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-5-15(13(17)18-14(2,3)4)10-12(16)11-8-6-7-9-11/h11H,5-10H2,1-4H3
InChIKeyJQYCXYVOZBBFJH-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate
CID 165468562
tert-butyl N-tert-butyl-N-(2-cyclopropyl-2-oxoethyl)carbamate
CID 165464888
tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate
CID 88586315
tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)-N-ethylcarbamate
CID 165489354
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate
CID 96553576
tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 69143161
tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate
CID 121443463
tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
CID 51135947
tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate
CID 104749788
tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
CID 107242659
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate (CID 165468490) is tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate is CCN(CC(=O)C1CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate?
The InChIKey is JQYCXYVOZBBFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-15(13(17)18-14(2,3)4)10-12(16)11-8-6-7-9-11/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate?
tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate has a molecular weight of 255.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate is sourced from PubChem (CID 165468490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).