N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C24H26N2O6 — CID 647825

IUPACN-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)COc1ccccc1C
InChIInChI=1S/C24H26N2O6/c1-4-29-21-14-18(26-24(28)20-11-8-12-31-20)22(30-5-2)13-17(21)25-23(27)15-32-19-10-7-6-9-16(19)3/h6-14H,4-5,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyHGVQMHXLYSZVGE-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.66
Rot. Bonds10

About N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 647825) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID647825
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC NameN-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)COc1ccccc1C
InChIInChI=1S/C24H26N2O6/c1-4-29-21-14-18(26-24(28)20-11-8-12-31-20)22(30-5-2)13-17(21)25-23(27)15-32-19-10-7-6-9-16(19)3/h6-14H,4-5,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyHGVQMHXLYSZVGE-UHFFFAOYSA-N
XLogP4.66
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 647825) is N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)COc1ccccc1C.
What is the InChIKey of N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is HGVQMHXLYSZVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-4-29-21-14-18(26-24(28)20-11-8-12-31-20)22(30-5-2)13-17(21)25-23(27)15-32-19-10-7-6-9-16(19)3/h6-14H,4-5,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 647825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).