tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate

C18H24N2O5 — CID 71995178

IUPACtert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
SMILESCc1ccc(C(C)NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)o1
InChIInChI=1S/C18H24N2O5/c1-11-6-8-14(23-11)12(2)20-16(21)15-9-7-13(24-15)10-19-17(22)25-18(3,4)5/h6-9,12H,10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyJTAXPMGPLIGEQW-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.70
Rot. Bonds5

About tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate

tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate (PubChem CID 71995178) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
PubChem CID71995178
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nametert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
SMILESCc1ccc(C(C)NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)o1
InChIInChI=1S/C18H24N2O5/c1-11-6-8-14(23-11)12(2)20-16(21)15-9-7-13(24-15)10-19-17(22)25-18(3,4)5/h6-9,12H,10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyJTAXPMGPLIGEQW-UHFFFAOYSA-N
XLogP3.70
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
CID 107254271
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203
tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
CID 116861139
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
CID 62525074
tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995210
5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]furan-2-carboxylic acid
CID 76785911
tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
CID 103785992
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453
2-(5-methylfuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 116860991
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 107240310

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate (CID 71995178) is tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate is Cc1ccc(C(C)NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)o1.
What is the InChIKey of tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate?
The InChIKey is JTAXPMGPLIGEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-11-6-8-14(23-11)12(2)20-16(21)15-9-7-13(24-15)10-19-17(22)25-18(3,4)5/h6-9,12H,10H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate?
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate has a molecular weight of 348.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate is sourced from PubChem (CID 71995178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).