[2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium

C22H32N3O3+ — CID 8768222

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc2cc(CN(C)C(=O)C[NH+](C)CC(=O)NC(C)(C)C)ccc2c1
InChIInChI=1S/C22H31N3O3/c1-22(2,3)23-20(26)14-24(4)15-21(27)25(5)13-16-7-8-18-12-19(28-6)10-9-17(18)11-16/h7-12H,13-15H2,1-6H3,(H,23,26)/p+1
InChIKeyCZAFOFOHKNWDQR-UHFFFAOYSA-O
MW386.52 g/mol
LogP1.24
Rot. Bonds7

About [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium (PubChem CID 8768222) has the molecular formula C22H32N3O3+ and a molecular weight of 386.52 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium
PubChem CID8768222
Molecular FormulaC22H32N3O3+
Molecular Weight386.52 g/mol
Exact Mass386.24
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc2cc(CN(C)C(=O)C[NH+](C)CC(=O)NC(C)(C)C)ccc2c1
InChIInChI=1S/C22H31N3O3/c1-22(2,3)23-20(26)14-24(4)15-21(27)25(5)13-16-7-8-18-12-19(28-6)10-9-17(18)11-16/h7-12H,13-15H2,1-6H3,(H,23,26)/p+1
InChIKeyCZAFOFOHKNWDQR-UHFFFAOYSA-O
XLogP1.24
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 8793608
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium
CID 8767256
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8845610
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (E)-but-2-enoate
CID 9080710
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495
5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 17480140

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium (CID 8768222) is [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium is COc1ccc2cc(CN(C)C(=O)C[NH+](C)CC(=O)NC(C)(C)C)ccc2c1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is CZAFOFOHKNWDQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N3O3/c1-22(2,3)23-20(26)14-24(4)15-21(27)25(5)13-16-7-8-18-12-19(28-6)10-9-17(18)11-16/h7-12H,13-15H2,1-6H3,(H,23,26)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 386.52 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8768222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).