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

C14H22N2O4 — CID 71995203

IUPACtert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
SMILESCCN(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H22N2O4/c1-6-16(5)12(17)11-8-7-10(19-11)9-15-13(18)20-14(2,3)4/h7-8H,6,9H2,1-5H3,(H,15,18)
InChIKeyOAIINUUOQKSXPZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.40
Rot. Bonds4

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

tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate (PubChem CID 71995203) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
PubChem CID71995203
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
SMILESCCN(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H22N2O4/c1-6-16(5)12(17)11-8-7-10(19-11)9-15-13(18)20-14(2,3)4/h7-8H,6,9H2,1-5H3,(H,15,18)
InChIKeyOAIINUUOQKSXPZ-UHFFFAOYSA-N
XLogP2.40
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate
CID 145262667
tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995210
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995178
5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
CID 107251206
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate
CID 69244104
tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate
CID 107252008
tert-butyl N-[[5-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]carbamoyl]furan-2-yl]methyl]carbamate
CID 97007729
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
5-[[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]furan-2-carboxylic acid
CID 107251769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate (CID 71995203) is tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate is CCN(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate?
The InChIKey is OAIINUUOQKSXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-6-16(5)12(17)11-8-7-10(19-11)9-15-13(18)20-14(2,3)4/h7-8H,6,9H2,1-5H3,(H,15,18).
What are the key properties of tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate?
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate is sourced from PubChem (CID 71995203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).