(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C24H29N2O2+ — CID 9054021

IUPAC(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCOc1ccc2cc(C[NH+](C)CC(=O)Nc3c(C)cc(C)cc3C)ccc2c1
InChIInChI=1S/C24H28N2O2/c1-16-10-17(2)24(18(3)11-16)25-23(27)15-26(4)14-19-6-7-21-13-22(28-5)9-8-20(21)12-19/h6-13H,14-15H2,1-5H3,(H,25,27)/p+1
InChIKeyDSUCXTUISVHXFV-UHFFFAOYSA-O
MW377.51 g/mol
LogP3.43
Rot. Bonds6

About (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 9054021) has the molecular formula C24H29N2O2+ and a molecular weight of 377.51 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
PubChem CID9054021
Molecular FormulaC24H29N2O2+
Molecular Weight377.51 g/mol
Exact Mass377.22
IUPAC Name(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCOc1ccc2cc(C[NH+](C)CC(=O)Nc3c(C)cc(C)cc3C)ccc2c1
InChIInChI=1S/C24H28N2O2/c1-16-10-17(2)24(18(3)11-16)25-23(27)15-26(4)14-19-6-7-21-13-22(28-5)9-8-20(21)12-19/h6-13H,14-15H2,1-5H3,(H,25,27)/p+1
InChIKeyDSUCXTUISVHXFV-UHFFFAOYSA-O
XLogP3.43
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054318
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9291603
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9053942
[2-(2-fluoroanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054039
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9053986
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8761435
[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 8925434
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8925396
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2656735
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761613
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054302

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The IUPAC name of (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 9054021) is (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is COc1ccc2cc(C[NH+](C)CC(=O)Nc3c(C)cc(C)cc3C)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The InChIKey is DSUCXTUISVHXFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N2O2/c1-16-10-17(2)24(18(3)11-16)25-23(27)15-26(4)14-19-6-7-21-13-22(28-5)9-8-20(21)12-19/h6-13H,14-15H2,1-5H3,(H,25,27)/p+1.
What are the key properties of (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 377.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 9054021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).