tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate

C13H21NO3 — CID 63789405

IUPACtert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
SMILESCc1cc(C(C)NC(=O)OC(C)(C)C)c(C)o1
InChIInChI=1S/C13H21NO3/c1-8-7-11(10(3)16-8)9(2)14-12(15)17-13(4,5)6/h7,9H,1-6H3,(H,14,15)
InChIKeyMXHWPAWZUPTOOH-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.48
Rot. Bonds2

About tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate

tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate (PubChem CID 63789405) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
PubChem CID63789405
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
SMILESCc1cc(C(C)NC(=O)OC(C)(C)C)c(C)o1
InChIInChI=1S/C13H21NO3/c1-8-7-11(10(3)16-8)9(2)14-12(15)17-13(4,5)6/h7,9H,1-6H3,(H,14,15)
InChIKeyMXHWPAWZUPTOOH-UHFFFAOYSA-N
XLogP3.48
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
CID 130495163
methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
CID 43726174
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811989
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505375
tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
CID 63790271
2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62820644
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 55257306

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate (CID 63789405) is tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate is Cc1cc(C(C)NC(=O)OC(C)(C)C)c(C)o1.
What is the InChIKey of tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate?
The InChIKey is MXHWPAWZUPTOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8-7-11(10(3)16-8)9(2)14-12(15)17-13(4,5)6/h7,9H,1-6H3,(H,14,15).
What are the key properties of tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate?
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate has a molecular weight of 239.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate is sourced from PubChem (CID 63789405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).