tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate

C13H21NO4 — CID 71262900

IUPACtert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate
SMILESCCN(Cc1ccc(CO)o1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO4/c1-5-14(12(16)18-13(2,3)4)8-10-6-7-11(9-15)17-10/h6-7,15H,5,8-9H2,1-4H3
InChIKeyDXIGXBRYXGYADF-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate

tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate (PubChem CID 71262900) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate
PubChem CID71262900
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Nametert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate
SMILESCCN(Cc1ccc(CO)o1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO4/c1-5-14(12(16)18-13(2,3)4)8-10-6-7-11(9-15)17-10/h6-7,15H,5,8-9H2,1-4H3
InChIKeyDXIGXBRYXGYADF-UHFFFAOYSA-N
XLogP2.53
TPSA62.91 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate
CID 155923548
tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-ethylcarbamate
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tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
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tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate
CID 87418131
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-ethyl-N-[[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 138985577
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-[(3-iodo-4-methoxyphenyl)methyl]carbamate
CID 169493297
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol
CID 115879804

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate (CID 71262900) is tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate is CCN(Cc1ccc(CO)o1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate?
The InChIKey is DXIGXBRYXGYADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-5-14(12(16)18-13(2,3)4)8-10-6-7-11(9-15)17-10/h6-7,15H,5,8-9H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate?
tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate has a molecular weight of 255.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate is sourced from PubChem (CID 71262900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).