3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide

C25H21NO5 — CID 9098193

IUPAC3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2cc3oc4ccccc4c3cc2OC)oc2ccccc12
InChIInChI=1S/C25H21NO5/c1-3-29-14-18-16-9-5-7-11-21(16)31-24(18)25(27)26-19-13-22-17(12-23(19)28-2)15-8-4-6-10-20(15)30-22/h4-13H,3,14H2,1-2H3,(H,26,27)
InChIKeyWZRCIAWOCNBBHF-UHFFFAOYSA-N
MW415.45 g/mol
LogP6.13
Rot. Bonds6

About 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide

3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 9098193) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
PubChem CID9098193
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2cc3oc4ccccc4c3cc2OC)oc2ccccc12
InChIInChI=1S/C25H21NO5/c1-3-29-14-18-16-9-5-7-11-21(16)31-24(18)25(27)26-19-13-22-17(12-23(19)28-2)15-8-4-6-10-20(15)30-22/h4-13H,3,14H2,1-2H3,(H,26,27)
InChIKeyWZRCIAWOCNBBHF-UHFFFAOYSA-N
XLogP6.13
TPSA73.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7962546
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
CID 3922547
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 16564355
5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide
CID 4767089
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide (CID 9098193) is 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)Nc2cc3oc4ccccc4c3cc2OC)oc2ccccc12.
What is the InChIKey of 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is WZRCIAWOCNBBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-3-29-14-18-16-9-5-7-11-21(16)31-24(18)25(27)26-19-13-22-17(12-23(19)28-2)15-8-4-6-10-20(15)30-22/h4-13H,3,14H2,1-2H3,(H,26,27).
What are the key properties of 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide?
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9098193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).