(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium

C21H23N2O2+ — CID 2548867

IUPAC(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESCOc1ccccc1C[NH+](C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H22N2O2/c1-23(14-17-9-4-6-13-20(17)25-2)15-21(24)22-19-12-7-10-16-8-3-5-11-18(16)19/h3-13H,14-15H2,1-2H3,(H,22,24)/p+1
InChIKeyXDXPCXCXSNMAHX-UHFFFAOYSA-O
MW335.43 g/mol
LogP2.50
Rot. Bonds6

About (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium

(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (PubChem CID 2548867) has the molecular formula C21H23N2O2+ and a molecular weight of 335.43 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
PubChem CID2548867
Molecular FormulaC21H23N2O2+
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESCOc1ccccc1C[NH+](C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H22N2O2/c1-23(14-17-9-4-6-13-20(17)25-2)15-21(24)22-19-12-7-10-16-8-3-5-11-18(16)19/h3-13H,14-15H2,1-2H3,(H,22,24)/p+1
InChIKeyXDXPCXCXSNMAHX-UHFFFAOYSA-O
XLogP2.50
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 2699286
[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 8909591
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 8709121
(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9222015
2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
N-(7-hydroxynaphthalen-1-yl)-2-(2-methoxyphenyl)acetamide
CID 11209005
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 9196538
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9196682
2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 16913160

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The IUPAC name of (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (CID 2548867) is (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.
What is the SMILES notation for (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The canonical SMILES for (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is COc1ccccc1C[NH+](C)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The InChIKey is XDXPCXCXSNMAHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N2O2/c1-23(14-17-9-4-6-13-20(17)25-2)15-21(24)22-19-12-7-10-16-8-3-5-11-18(16)19/h3-13H,14-15H2,1-2H3,(H,22,24)/p+1.
What are the key properties of (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium has a molecular weight of 335.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 2548867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).