5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide

C22H23NO7 — CID 3153929

IUPAC5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)o1
InChIInChI=1S/C22H23NO7/c1-25-16-7-5-6-8-17(16)29-13-15-9-10-18(30-15)22(24)23-14-11-19(26-2)21(28-4)20(12-14)27-3/h5-12H,13H2,1-4H3,(H,23,24)
InChIKeyHROGXSKFRKBSAV-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.15
Rot. Bonds9

About 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide (PubChem CID 3153929) has the molecular formula C22H23NO7 and a molecular weight of 413.43 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
PubChem CID3153929
Molecular FormulaC22H23NO7
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)o1
InChIInChI=1S/C22H23NO7/c1-25-16-7-5-6-8-17(16)29-13-15-9-10-18(30-15)22(24)23-14-11-19(26-2)21(28-4)20(12-14)27-3/h5-12H,13H2,1-4H3,(H,23,24)
InChIKeyHROGXSKFRKBSAV-UHFFFAOYSA-N
XLogP4.15
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide (CID 3153929) is 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)o1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide?
The InChIKey is HROGXSKFRKBSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO7/c1-25-16-7-5-6-8-17(16)29-13-15-9-10-18(30-15)22(24)23-14-11-19(26-2)21(28-4)20(12-14)27-3/h5-12H,13H2,1-4H3,(H,23,24).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 3153929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).