N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide

C19H19NO3 — CID 113200025

IUPACN-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C19H19NO3/c1-2-12-5-3-4-6-15(12)20-19(21)17-14-8-10-22-16(14)11-13-7-9-23-18(13)17/h3-6,11H,2,7-10H2,1H3,(H,20,21)
InChIKeyPBSRIQKVGKHJBP-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.37
Rot. Bonds3

About N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide

N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide (PubChem CID 113200025) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
PubChem CID113200025
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC NameN-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C19H19NO3/c1-2-12-5-3-4-6-15(12)20-19(21)17-14-8-10-22-16(14)11-13-7-9-23-18(13)17/h3-6,11H,2,7-10H2,1H3,(H,20,21)
InChIKeyPBSRIQKVGKHJBP-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200012
N-(2-methylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199463
methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
CID 113200071
N-(2-fluorophenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199486
N-[(4-methoxyphenyl)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113199957
N-(4-piperidin-1-ylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200077
1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217653
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
N-butyl-N-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200003
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzamide
CID 113096026

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide (CID 113200025) is N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide is CCc1ccccc1NC(=O)c1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The InChIKey is PBSRIQKVGKHJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-12-5-3-4-6-15(12)20-19(21)17-14-8-10-22-16(14)11-13-7-9-23-18(13)17/h3-6,11H,2,7-10H2,1H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide has a molecular weight of 309.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide is sourced from PubChem (CID 113200025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).