benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium

C26H33N2O3+ — CID 7417814

IUPACbenzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium
SMILESCOc1ccc(C[NH+](Cc2ccccc2)Cc2ccc(C(=O)N[C@@H](C)C(C)C)o2)cc1
InChIInChI=1S/C26H32N2O3/c1-19(2)20(3)27-26(29)25-15-14-24(31-25)18-28(16-21-8-6-5-7-9-21)17-22-10-12-23(30-4)13-11-22/h5-15,19-20H,16-18H2,1-4H3,(H,27,29)/p+1/t20-/m0/s1
InChIKeyXEXLJFOOGOFUSI-FQEVSTJZSA-O
MW421.56 g/mol
LogP3.85
Rot. Bonds10

About benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium

benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium (PubChem CID 7417814) has the molecular formula C26H33N2O3+ and a molecular weight of 421.56 g/mol. Its IUPAC name is benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium.

Molecular Properties

Compound Namebenzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium
PubChem CID7417814
Molecular FormulaC26H33N2O3+
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC Namebenzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium
SMILESCOc1ccc(C[NH+](Cc2ccccc2)Cc2ccc(C(=O)N[C@@H](C)C(C)C)o2)cc1
InChIInChI=1S/C26H32N2O3/c1-19(2)20(3)27-26(29)25-15-14-24(31-25)18-28(16-21-8-6-5-7-9-21)17-22-10-12-23(30-4)13-11-22/h5-15,19-20H,16-18H2,1-4H3,(H,27,29)/p+1/t20-/m0/s1
InChIKeyXEXLJFOOGOFUSI-FQEVSTJZSA-O
XLogP3.85
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium with MolForge

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Related Compounds

5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 7417815
benzyl-[(4-methoxyphenyl)methyl]-[[5-(pentylcarbamoyl)furan-2-yl]methyl]azanium
CID 7218719
[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl-[(3-fluorophenyl)methyl]-[(4-methoxyphenyl)methyl]azanium
CID 6973540
benzyl-[[5-(2-methoxyethylcarbamoyl)furan-2-yl]methyl]-[(3-methoxyphenyl)methyl]azanium
CID 7296563
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903
5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide
CID 97246805
benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium
CID 6945953
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
5-[(2-methoxyphenoxy)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529733
5-[(2-methoxyphenoxy)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529730

Frequently Asked Questions

What is the IUPAC name of benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium?
The IUPAC name of benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium (CID 7417814) is benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium.
What is the SMILES notation for benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium?
The canonical SMILES for benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium is COc1ccc(C[NH+](Cc2ccccc2)Cc2ccc(C(=O)N[C@@H](C)C(C)C)o2)cc1.
What is the InChIKey of benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium?
The InChIKey is XEXLJFOOGOFUSI-FQEVSTJZSA-O. The full InChI is InChI=1S/C26H32N2O3/c1-19(2)20(3)27-26(29)25-15-14-24(31-25)18-28(16-21-8-6-5-7-9-21)17-22-10-12-23(30-4)13-11-22/h5-15,19-20H,16-18H2,1-4H3,(H,27,29)/p+1/t20-/m0/s1.
What are the key properties of benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium?
benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium has a molecular weight of 421.56 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium is sourced from PubChem (CID 7417814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).