1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium

C24H27N2O4+ — CID 7271455

IUPAC1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium
SMILESCCCNC(=O)c1ccc(C[NH+](Cc2ccccc2)Cc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C24H26N2O4/c1-2-12-25-24(27)22-11-9-20(30-22)16-26(14-18-6-4-3-5-7-18)15-19-8-10-21-23(13-19)29-17-28-21/h3-11,13H,2,12,14-17H2,1H3,(H,25,27)/p+1
InChIKeySBEBNEUXWHTNDF-UHFFFAOYSA-O
MW407.49 g/mol
LogP2.93
Rot. Bonds9

About 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium

1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium (PubChem CID 7271455) has the molecular formula C24H27N2O4+ and a molecular weight of 407.49 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium
PubChem CID7271455
Molecular FormulaC24H27N2O4+
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium
SMILESCCCNC(=O)c1ccc(C[NH+](Cc2ccccc2)Cc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C24H26N2O4/c1-2-12-25-24(27)22-11-9-20(30-22)16-26(14-18-6-4-3-5-7-18)15-19-8-10-21-23(13-19)29-17-28-21/h3-11,13H,2,12,14-17H2,1H3,(H,25,27)/p+1
InChIKeySBEBNEUXWHTNDF-UHFFFAOYSA-O
XLogP2.93
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium with MolForge

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Related Compounds

benzyl-[(4-methoxyphenyl)methyl]-[[5-(pentylcarbamoyl)furan-2-yl]methyl]azanium
CID 7218719
benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium
CID 7296563
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-benzyl-ethylazanium
CID 8541323
5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 42753681
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
CID 86822152
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 19465699
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 42858767
2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110767409
5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
CID 42850909
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 35326826

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium?
The IUPAC name of 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium (CID 7271455) is 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium?
The canonical SMILES for 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium is CCCNC(=O)c1ccc(C[NH+](Cc2ccccc2)Cc2ccc3c(c2)OCO3)o1.
What is the InChIKey of 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium?
The InChIKey is SBEBNEUXWHTNDF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N2O4/c1-2-12-25-24(27)22-11-9-20(30-22)16-26(14-18-6-4-3-5-7-18)15-19-8-10-21-23(13-19)29-17-28-21/h3-11,13H,2,12,14-17H2,1H3,(H,25,27)/p+1.
What are the key properties of 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium?
1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium has a molecular weight of 407.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 7271455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).