[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium

C21H25N2O3+ — CID 8533387

IUPAC[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESCOCc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)oc2ccccc12
InChIInChI=1S/C21H24N2O3/c1-23(2)13-16-10-8-15(9-11-16)12-22-21(24)20-18(14-25-3)17-6-4-5-7-19(17)26-20/h4-11H,12-14H2,1-3H3,(H,22,24)/p+1
InChIKeyFVGIDKMDGQOCMH-UHFFFAOYSA-O
MW353.44 g/mol
LogP2.15
Rot. Bonds7

About [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium

[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 8533387) has the molecular formula C21H25N2O3+ and a molecular weight of 353.44 g/mol. Its IUPAC name is [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
PubChem CID8533387
Molecular FormulaC21H25N2O3+
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESCOCc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)oc2ccccc12
InChIInChI=1S/C21H24N2O3/c1-23(2)13-16-10-8-15(9-11-16)12-22-21(24)20-18(14-25-3)17-6-4-5-7-19(17)26-20/h4-11H,12-14H2,1-3H3,(H,22,24)/p+1
InChIKeyFVGIDKMDGQOCMH-UHFFFAOYSA-O
XLogP2.15
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8948223
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 31515588
2-[2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241326
3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55693275
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8531478

Frequently Asked Questions

What is the IUPAC name of [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium (CID 8533387) is [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium is COCc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)oc2ccccc12.
What is the InChIKey of [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is FVGIDKMDGQOCMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N2O3/c1-23(2)13-16-10-8-15(9-11-16)12-22-21(24)20-18(14-25-3)17-6-4-5-7-19(17)26-20/h4-11H,12-14H2,1-3H3,(H,22,24)/p+1.
What are the key properties of [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium?
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 353.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 8533387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).