ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate

C14H17NO4 — CID 113095323

IUPACethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
SMILESCCOC(=O)NCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C14H17NO4/c1-2-17-14(16)15-8-11-10-4-6-18-12(10)7-9-3-5-19-13(9)11/h7H,2-6,8H2,1H3,(H,15,16)
InChIKeyFNZDDBOSTJFNEG-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.80
Rot. Bonds3

About ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate

ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate (PubChem CID 113095323) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
PubChem CID113095323
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
SMILESCCOC(=O)NCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C14H17NO4/c1-2-17-14(16)15-8-11-10-4-6-18-12(10)7-9-3-5-19-13(9)11/h7H,2-6,8H2,1H3,(H,15,16)
InChIKeyFNZDDBOSTJFNEG-UHFFFAOYSA-N
XLogP1.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 113217766
1-butan-2-yl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217711
4-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095281
1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217708
3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095277
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986293
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
N,N-dipropyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199457
ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate
CID 116986435
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217833

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate?
The IUPAC name of ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate (CID 113095323) is ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate is CCOC(=O)NCc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate?
The InChIKey is FNZDDBOSTJFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-17-14(16)15-8-11-10-4-6-18-12(10)7-9-3-5-19-13(9)11/h7H,2-6,8H2,1H3,(H,15,16).
What are the key properties of ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate?
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate has a molecular weight of 263.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate is sourced from PubChem (CID 113095323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).