(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

C18H23N2O2+ — CID 2714062

IUPAC(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-9-16(10-8-14)19-18(21)13-20(2)12-15-5-4-6-17(11-15)22-3/h4-11H,12-13H2,1-3H3,(H,19,21)/p+1
InChIKeyVJIWAQLWMBFJSX-UHFFFAOYSA-O
MW299.39 g/mol
LogP1.66
Rot. Bonds6

About (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 2714062) has the molecular formula C18H23N2O2+ and a molecular weight of 299.39 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID2714062
Molecular FormulaC18H23N2O2+
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-9-16(10-8-14)19-18(21)13-20(2)12-15-5-4-6-17(11-15)22-3/h4-11H,12-13H2,1-3H3,(H,19,21)/p+1
InChIKeyVJIWAQLWMBFJSX-UHFFFAOYSA-O
XLogP1.66
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8780652
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8794657
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8816741
(3-cyanophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588703
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2656735
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2656717
(3-fluorophenyl)methyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8961817
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714126
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 2553869
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8794639

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 2714062) is (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is COc1cccc(C[NH+](C)CC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is VJIWAQLWMBFJSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O2/c1-14-7-9-16(10-8-14)19-18(21)13-20(2)12-15-5-4-6-17(11-15)22-3/h4-11H,12-13H2,1-3H3,(H,19,21)/p+1.
What are the key properties of (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 299.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 2714062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).