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

C18H21F3N3O3+ — CID 8925396

IUPAC(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
SMILESCOc1ccc2cc(C[NH+](C)CC(=O)NC(=O)NCC(F)(F)F)ccc2c1
InChIInChI=1S/C18H20F3N3O3/c1-24(10-16(25)23-17(26)22-11-18(19,20)21)9-12-3-4-14-8-15(27-2)6-5-13(14)7-12/h3-8H,9-11H2,1-2H3,(H2,22,23,25,26)/p+1
InChIKeyOTKOPYABUCIVSN-UHFFFAOYSA-O
MW384.38 g/mol
LogP1.25
Rot. Bonds6

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

(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium (PubChem CID 8925396) has the molecular formula C18H21F3N3O3+ and a molecular weight of 384.38 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
PubChem CID8925396
Molecular FormulaC18H21F3N3O3+
Molecular Weight384.38 g/mol
Exact Mass384.15
IUPAC Name(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
SMILESCOc1ccc2cc(C[NH+](C)CC(=O)NC(=O)NCC(F)(F)F)ccc2c1
InChIInChI=1S/C18H20F3N3O3/c1-24(10-16(25)23-17(26)22-11-18(19,20)21)9-12-3-4-14-8-15(27-2)6-5-13(14)7-12/h3-8H,9-11H2,1-2H3,(H2,22,23,25,26)/p+1
InChIKeyOTKOPYABUCIVSN-UHFFFAOYSA-O
XLogP1.25
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium with MolForge

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Related Compounds

[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 8925434
[2-(2-fluoroanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054039
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9054021
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9053986
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9053942
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054318
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761112
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9261274
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221659
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054302
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
The IUPAC name of (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium (CID 8925396) is (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium is COc1ccc2cc(C[NH+](C)CC(=O)NC(=O)NCC(F)(F)F)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
The InChIKey is OTKOPYABUCIVSN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20F3N3O3/c1-24(10-16(25)23-17(26)22-11-18(19,20)21)9-12-3-4-14-8-15(27-2)6-5-13(14)7-12/h3-8H,9-11H2,1-2H3,(H2,22,23,25,26)/p+1.
What are the key properties of (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium has a molecular weight of 384.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 8925396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).