4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

C21H20N2O5 — CID 109046619

IUPAC4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H20N2O5/c1-26-16-9-10-19(27-2)18(12-16)23-21(25)15-7-5-14(6-8-15)20(24)22-13-17-4-3-11-28-17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVUUQWCPKXKDLSC-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.48
Rot. Bonds7

About 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109046619) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109046619
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H20N2O5/c1-26-16-9-10-19(27-2)18(12-16)23-21(25)15-7-5-14(6-8-15)20(24)22-13-17-4-3-11-28-17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVUUQWCPKXKDLSC-UHFFFAOYSA-N
XLogP3.48
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
3-N-(2,5-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 3362593
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
6-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117625
N-(2,5-dimethoxyphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117456
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (CID 109046619) is 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is COc1ccc(OC)c(NC(=O)c2ccc(C(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is VUUQWCPKXKDLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-26-16-9-10-19(27-2)18(12-16)23-21(25)15-7-5-14(6-8-15)20(24)22-13-17-4-3-11-28-17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).