5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide

C27H23NO5 — CID 4767089

IUPAC5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide
SMILESCCc1ccc(OCc2ccc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)o2)cc1
InChIInChI=1S/C27H23NO5/c1-3-17-8-10-18(11-9-17)31-16-19-12-13-24(32-19)27(29)28-22-15-25-21(14-26(22)30-2)20-6-4-5-7-23(20)33-25/h4-15H,3,16H2,1-2H3,(H,28,29)
InChIKeyLTAGVIOFYHKAKQ-UHFFFAOYSA-N
MW441.48 g/mol
LogP6.58
Rot. Bonds7

About 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide

5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide (PubChem CID 4767089) has the molecular formula C27H23NO5 and a molecular weight of 441.48 g/mol. Its IUPAC name is 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide
PubChem CID4767089
Molecular FormulaC27H23NO5
Molecular Weight441.48 g/mol
Exact Mass441.16
IUPAC Name5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide
SMILESCCc1ccc(OCc2ccc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)o2)cc1
InChIInChI=1S/C27H23NO5/c1-3-17-8-10-18(11-9-17)31-16-19-12-13-24(32-19)27(29)28-22-15-25-21(14-26(22)30-2)20-6-4-5-7-23(20)33-25/h4-15H,3,16H2,1-2H3,(H,28,29)
InChIKeyLTAGVIOFYHKAKQ-UHFFFAOYSA-N
XLogP6.58
TPSA73.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2489195
methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
CID 7695279
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
2-(3-ethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 22831051
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455
3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(2-phenoxyethyl)urea
CID 55696611
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893725
dimethyl 5-[[5-[(4-ethylphenoxy)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19415870
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide (CID 4767089) is 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide is CCc1ccc(OCc2ccc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)o2)cc1.
What is the InChIKey of 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide?
The InChIKey is LTAGVIOFYHKAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO5/c1-3-17-8-10-18(11-9-17)31-16-19-12-13-24(32-19)27(29)28-22-15-25-21(14-26(22)30-2)20-6-4-5-7-23(20)33-25/h4-15H,3,16H2,1-2H3,(H,28,29).
What are the key properties of 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide?
5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide is sourced from PubChem (CID 4767089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).