N-dibenzofuran-3-yl-3,4-diethoxybenzamide

C23H21NO4 — CID 100535304

IUPACN-dibenzofuran-3-yl-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OCC
InChIInChI=1S/C23H21NO4/c1-3-26-20-12-9-15(13-22(20)27-4-2)23(25)24-16-10-11-18-17-7-5-6-8-19(17)28-21(18)14-16/h5-14H,3-4H2,1-2H3,(H,24,25)
InChIKeyWVJBGGCRWOIEOA-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.64
Rot. Bonds6

About N-dibenzofuran-3-yl-3,4-diethoxybenzamide

N-dibenzofuran-3-yl-3,4-diethoxybenzamide (PubChem CID 100535304) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-3,4-diethoxybenzamide
PubChem CID100535304
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-dibenzofuran-3-yl-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OCC
InChIInChI=1S/C23H21NO4/c1-3-26-20-12-9-15(13-22(20)27-4-2)23(25)24-16-10-11-18-17-7-5-6-8-19(17)28-21(18)14-16/h5-14H,3-4H2,1-2H3,(H,24,25)
InChIKeyWVJBGGCRWOIEOA-UHFFFAOYSA-N
XLogP5.64
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
N-dibenzofuran-2-yl-2-ethoxybenzamide
CID 16552367
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide
CID 4894452
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
3-chloro-N-(dibenzofuran-3-ylcarbamothioyl)-4-methoxybenzamide
CID 2896353
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-3,4-diethoxybenzamide?
The IUPAC name of N-dibenzofuran-3-yl-3,4-diethoxybenzamide (CID 100535304) is N-dibenzofuran-3-yl-3,4-diethoxybenzamide.
What is the SMILES notation for N-dibenzofuran-3-yl-3,4-diethoxybenzamide?
The canonical SMILES for N-dibenzofuran-3-yl-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OCC.
What is the InChIKey of N-dibenzofuran-3-yl-3,4-diethoxybenzamide?
The InChIKey is WVJBGGCRWOIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-3-26-20-12-9-15(13-22(20)27-4-2)23(25)24-16-10-11-18-17-7-5-6-8-19(17)28-21(18)14-16/h5-14H,3-4H2,1-2H3,(H,24,25).
What are the key properties of N-dibenzofuran-3-yl-3,4-diethoxybenzamide?
N-dibenzofuran-3-yl-3,4-diethoxybenzamide has a molecular weight of 375.42 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-3,4-diethoxybenzamide is sourced from PubChem (CID 100535304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).