N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

C21H21NO5 — CID 19467513

IUPACN-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(COc3ccccc3OC)o2)cc1
InChIInChI=1S/C21H21NO5/c1-3-25-16-10-8-15(9-11-16)22-21(23)20-13-12-17(27-20)14-26-19-7-5-4-6-18(19)24-2/h4-13H,3,14H2,1-2H3,(H,22,23)
InChIKeyYSTMYVJSYPJXBL-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.52
Rot. Bonds8

About N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19467513) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19467513
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC NameN-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(COc3ccccc3OC)o2)cc1
InChIInChI=1S/C21H21NO5/c1-3-25-16-10-8-15(9-11-16)22-21(23)20-13-12-17(27-20)14-26-19-7-5-4-6-18(19)24-2/h4-13H,3,14H2,1-2H3,(H,22,23)
InChIKeyYSTMYVJSYPJXBL-UHFFFAOYSA-N
XLogP4.52
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19467513) is N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(COc3ccccc3OC)o2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is YSTMYVJSYPJXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-3-25-16-10-8-15(9-11-16)22-21(23)20-13-12-17(27-20)14-26-19-7-5-4-6-18(19)24-2/h4-13H,3,14H2,1-2H3,(H,22,23).
What are the key properties of N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19467513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).