furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium

C16H21N2O3+ — CID 9333240

IUPACfuran-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(C)cc1NC(=O)C[NH+](C)Cc1ccco1
InChIInChI=1S/C16H20N2O3/c1-12-6-7-15(20-3)14(9-12)17-16(19)11-18(2)10-13-5-4-8-21-13/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyHVXKIBZEJLBRSK-UHFFFAOYSA-O
MW289.36 g/mol
LogP1.25
Rot. Bonds6

About furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium

furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9333240) has the molecular formula C16H21N2O3+ and a molecular weight of 289.36 g/mol. Its IUPAC name is furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
PubChem CID9333240
Molecular FormulaC16H21N2O3+
Molecular Weight289.36 g/mol
Exact Mass289.15
IUPAC Namefuran-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(C)cc1NC(=O)C[NH+](C)Cc1ccco1
InChIInChI=1S/C16H20N2O3/c1-12-6-7-15(20-3)14(9-12)17-16(19)11-18(2)10-13-5-4-8-21-13/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyHVXKIBZEJLBRSK-UHFFFAOYSA-O
XLogP1.25
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110690707
furan-2-ylmethyl-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 9334151
(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9103940
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9332722
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333255
[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805756
1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974666
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
CID 8917988
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805430
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731572
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium (CID 9333240) is furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium is COc1ccc(C)cc1NC(=O)C[NH+](C)Cc1ccco1.
What is the InChIKey of furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is HVXKIBZEJLBRSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2O3/c1-12-6-7-15(20-3)14(9-12)17-16(19)11-18(2)10-13-5-4-8-21-13/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1.
What are the key properties of furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium?
furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 289.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9333240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).