tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate

C13H21NO3 — CID 130495163

IUPACtert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
SMILESCc1cc(C(C)NC(=O)OC(C)(C)C)oc1C
InChIInChI=1S/C13H21NO3/c1-8-7-11(16-10(8)3)9(2)14-12(15)17-13(4,5)6/h7,9H,1-6H3,(H,14,15)
InChIKeyPYDUKVGNHZDECD-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.48
Rot. Bonds2

About tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate

tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate (PubChem CID 130495163) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
PubChem CID130495163
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
SMILESCc1cc(C(C)NC(=O)OC(C)(C)C)oc1C
InChIInChI=1S/C13H21NO3/c1-8-7-11(16-10(8)3)9(2)14-12(15)17-13(4,5)6/h7,9H,1-6H3,(H,14,15)
InChIKeyPYDUKVGNHZDECD-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-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836
5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]furan-2-carboxylic acid
CID 76785911
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-benzofuran-7-carboxylic acid
CID 174222257
methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate
CID 11139258
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
methyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 154729915
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate (CID 130495163) is tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate is Cc1cc(C(C)NC(=O)OC(C)(C)C)oc1C.
What is the InChIKey of tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate?
The InChIKey is PYDUKVGNHZDECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8-7-11(16-10(8)3)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-(4,5-dimethylfuran-2-yl)ethyl]carbamate?
tert-butyl N-[1-(4,5-dimethylfuran-2-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-(4,5-dimethylfuran-2-yl)ethyl]carbamate is sourced from PubChem (CID 130495163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).