tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate

C13H21NO4 — CID 134857276

IUPACtert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1ccc(OC)o1
InChIInChI=1S/C13H21NO4/c1-6-9(10-7-8-11(16-5)17-10)14-12(15)18-13(2,3)4/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyHOKZUNNJJREFPR-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.26
Rot. Bonds4

About tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate

tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate (PubChem CID 134857276) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate
PubChem CID134857276
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Nametert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1ccc(OC)o1
InChIInChI=1S/C13H21NO4/c1-6-9(10-7-8-11(16-5)17-10)14-12(15)18-13(2,3)4/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyHOKZUNNJJREFPR-UHFFFAOYSA-N
XLogP3.26
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate
CID 101352736
tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate
CID 11404979
tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate
CID 11492885
tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate
CID 101352737
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate
CID 83694071
tert-butyl N-[1-(3,5-difluorophenyl)propyl]carbamate
CID 123415013
tert-butyl N-[1-(5-bromofuran-2-yl)-2-methylsulfinylethyl]carbamate
CID 143839197
(3R)-3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7062318
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7010139

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate (CID 134857276) is tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate is CCC(NC(=O)OC(C)(C)C)c1ccc(OC)o1.
What is the InChIKey of tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate?
The InChIKey is HOKZUNNJJREFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-6-9(10-7-8-11(16-5)17-10)14-12(15)18-13(2,3)4/h7-9H,6H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate?
tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate has a molecular weight of 255.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate is sourced from PubChem (CID 134857276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).