benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium

C24H29N2O4+ — CID 7296563

IUPACbenzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium
SMILESCOCCNC(=O)c1ccc(C[NH+](Cc2ccccc2)Cc2cccc(OC)c2)o1
InChIInChI=1S/C24H28N2O4/c1-28-14-13-25-24(27)23-12-11-22(30-23)18-26(16-19-7-4-3-5-8-19)17-20-9-6-10-21(15-20)29-2/h3-12,15H,13-14,16-18H2,1-2H3,(H,25,27)/p+1
InChIKeyOUEJRXSDAGEEFN-UHFFFAOYSA-O
MW409.51 g/mol
LogP2.45
Rot. Bonds11

About benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium

benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium (PubChem CID 7296563) has the molecular formula C24H29N2O4+ and a molecular weight of 409.51 g/mol. Its IUPAC name is benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namebenzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium
PubChem CID7296563
Molecular FormulaC24H29N2O4+
Molecular Weight409.51 g/mol
Exact Mass409.21
IUPAC Namebenzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium
SMILESCOCCNC(=O)c1ccc(C[NH+](Cc2ccccc2)Cc2cccc(OC)c2)o1
InChIInChI=1S/C24H28N2O4/c1-28-14-13-25-24(27)23-12-11-22(30-23)18-26(16-19-7-4-3-5-8-19)17-20-9-6-10-21(15-20)29-2/h3-12,15H,13-14,16-18H2,1-2H3,(H,25,27)/p+1
InChIKeyOUEJRXSDAGEEFN-UHFFFAOYSA-O
XLogP2.45
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl-[(4-methoxyphenyl)methyl]-[[5-(pentylcarbamoyl)furan-2-yl]methyl]azanium
CID 7218719
1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium
CID 7271455
benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium
CID 7417814
[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl-[(3-fluorophenyl)methyl]-[(4-methoxyphenyl)methyl]azanium
CID 6973540
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046091
5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681429
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
N-[(3-methoxyphenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024409
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105

Frequently Asked Questions

What is the IUPAC name of benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium?
The IUPAC name of benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium (CID 7296563) is benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium.
What is the SMILES notation for benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium?
The canonical SMILES for benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium is COCCNC(=O)c1ccc(C[NH+](Cc2ccccc2)Cc2cccc(OC)c2)o1.
What is the InChIKey of benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium?
The InChIKey is OUEJRXSDAGEEFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N2O4/c1-28-14-13-25-24(27)23-12-11-22(30-23)18-26(16-19-7-4-3-5-8-19)17-20-9-6-10-21(15-20)29-2/h3-12,15H,13-14,16-18H2,1-2H3,(H,25,27)/p+1.
What are the key properties of benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium?
benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium has a molecular weight of 409.51 g/mol, XLogP of 2.45, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 7296563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).