tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate

C16H27NO3 — CID 11492885

IUPACtert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate
SMILESCCCC(NC(=O)OC(C)(C)C)c1ccc(C(C)C)o1
InChIInChI=1S/C16H27NO3/c1-7-8-12(17-15(18)20-16(4,5)6)14-10-9-13(19-14)11(2)3/h9-12H,7-8H2,1-6H3,(H,17,18)
InChIKeyFANQNAZIRZCCQL-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.77
Rot. Bonds5

About tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate

tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate (PubChem CID 11492885) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate
PubChem CID11492885
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate
SMILESCCCC(NC(=O)OC(C)(C)C)c1ccc(C(C)C)o1
InChIInChI=1S/C16H27NO3/c1-7-8-12(17-15(18)20-16(4,5)6)14-10-9-13(19-14)11(2)3/h9-12H,7-8H2,1-6H3,(H,17,18)
InChIKeyFANQNAZIRZCCQL-UHFFFAOYSA-N
XLogP4.77
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate
CID 83694071
tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate
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tert-butyl N-[1-(5-bromofuran-2-yl)-2-methylsulfinylethyl]carbamate
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tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
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tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 67086154
[2-[4-(2-methylpentoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 67086159
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-propan-2-ylphenyl)propanoate
CID 7062319
tert-butyl N-(1-phenylbutylamino)carbamate
CID 107236962
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate (CID 11492885) is tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate is CCCC(NC(=O)OC(C)(C)C)c1ccc(C(C)C)o1.
What is the InChIKey of tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate?
The InChIKey is FANQNAZIRZCCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-8-12(17-15(18)20-16(4,5)6)14-10-9-13(19-14)11(2)3/h9-12H,7-8H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate?
tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate has a molecular weight of 281.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate is sourced from PubChem (CID 11492885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).