tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate

C14H23NO3 — CID 155937072

IUPACtert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate
SMILESCCC(C)CN(C(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C14H23NO3/c1-6-11(2)10-15(12-8-7-9-17-12)13(16)18-14(3,4)5/h7-9,11H,6,10H2,1-5H3
InChIKeyGLUNCWPMXFGSKS-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate

tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate (PubChem CID 155937072) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate
PubChem CID155937072
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate
SMILESCCC(C)CN(C(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C14H23NO3/c1-6-11(2)10-15(12-8-7-9-17-12)13(16)18-14(3,4)5/h7-9,11H,6,10H2,1-5H3
InChIKeyGLUNCWPMXFGSKS-UHFFFAOYSA-N
XLogP4.07
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate
CID 25188145
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206
tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate
CID 102439230
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384
tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
CID 103781324
tert-butyl N-[(1S,2S)-3-ethoxy-1-(furan-2-yl)-2-methylpropyl]-N-methylcarbamate
CID 90141016
tert-butyl N-(furan-2-yl)-N-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 175510299
tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
CID 10966474
tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate
CID 132530497
tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245973

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate?
The IUPAC name of tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate (CID 155937072) is tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate is CCC(C)CN(C(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate?
The InChIKey is GLUNCWPMXFGSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-11(2)10-15(12-8-7-9-17-12)13(16)18-14(3,4)5/h7-9,11H,6,10H2,1-5H3.
What are the key properties of tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate?
tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate has a molecular weight of 253.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate is sourced from PubChem (CID 155937072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).