5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide

C21H19NO6 — CID 19463936

IUPAC5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)cc1
InChIInChI=1S/C21H19NO6/c1-2-24-15-5-3-14(4-6-15)22-21(23)19-10-8-17(28-19)12-25-16-7-9-18-20(11-16)27-13-26-18/h3-11H,2,12-13H2,1H3,(H,22,23)
InChIKeyXKNSKGCEZKMZAT-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.24
Rot. Bonds7

About 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide

5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide (PubChem CID 19463936) has the molecular formula C21H19NO6 and a molecular weight of 381.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
PubChem CID19463936
Molecular FormulaC21H19NO6
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Name5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)cc1
InChIInChI=1S/C21H19NO6/c1-2-24-15-5-3-14(4-6-15)22-21(23)19-10-8-17(28-19)12-25-16-7-9-18-20(11-16)27-13-26-18/h3-11H,2,12-13H2,1H3,(H,22,23)
InChIKeyXKNSKGCEZKMZAT-UHFFFAOYSA-N
XLogP4.24
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 19484345
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 19465699
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 19452355
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19463886
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463254
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 19463925
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19465619
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19465733

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide (CID 19463936) is 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)cc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide?
The InChIKey is XKNSKGCEZKMZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6/c1-2-24-15-5-3-14(4-6-15)22-21(23)19-10-8-17(28-19)12-25-16-7-9-18-20(11-16)27-13-26-18/h3-11H,2,12-13H2,1H3,(H,22,23).
What are the key properties of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide?
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 19463936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).