[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

C23H26ClN2O2+ — CID 9054318

IUPAC[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
SMILESCOc1ccc2cc(C[NH+](C)CC(=O)Nc3c(C)cc(C)cc3Cl)ccc2c1
InChIInChI=1S/C23H25ClN2O2/c1-15-9-16(2)23(21(24)10-15)25-22(27)14-26(3)13-17-5-6-19-12-20(28-4)8-7-18(19)11-17/h5-12H,13-14H2,1-4H3,(H,25,27)/p+1
InChIKeyPDXXPRXWGNFFLO-UHFFFAOYSA-O
MW397.93 g/mol
LogP3.77
Rot. Bonds6

About [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (PubChem CID 9054318) has the molecular formula C23H26ClN2O2+ and a molecular weight of 397.93 g/mol. Its IUPAC name is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
PubChem CID9054318
Molecular FormulaC23H26ClN2O2+
Molecular Weight397.93 g/mol
Exact Mass397.17
IUPAC Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
SMILESCOc1ccc2cc(C[NH+](C)CC(=O)Nc3c(C)cc(C)cc3Cl)ccc2c1
InChIInChI=1S/C23H25ClN2O2/c1-15-9-16(2)23(21(24)10-15)25-22(27)14-26(3)13-17-5-6-19-12-20(28-4)8-7-18(19)11-17/h5-12H,13-14H2,1-4H3,(H,25,27)/p+1
InChIKeyPDXXPRXWGNFFLO-UHFFFAOYSA-O
XLogP3.77
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium with MolForge

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Related Compounds

(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9054021
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9053942
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8761435
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054938
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9291603
[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
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8964695
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828541
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698907
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8925396
[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 8925434

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (CID 9054318) is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.
What is the SMILES notation for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The canonical SMILES for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is COc1ccc2cc(C[NH+](C)CC(=O)Nc3c(C)cc(C)cc3Cl)ccc2c1.
What is the InChIKey of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The InChIKey is PDXXPRXWGNFFLO-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25ClN2O2/c1-15-9-16(2)23(21(24)10-15)25-22(27)14-26(3)13-17-5-6-19-12-20(28-4)8-7-18(19)11-17/h5-12H,13-14H2,1-4H3,(H,25,27)/p+1.
What are the key properties of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium has a molecular weight of 397.93 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is sourced from PubChem (CID 9054318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).