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

C20H21N2O+ — CID 8901087

IUPACbenzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C20H20N2O/c1-22(14-16-8-3-2-4-9-16)15-20(23)21-19-13-7-11-17-10-5-6-12-18(17)19/h2-13H,14-15H2,1H3,(H,21,23)/p+1
InChIKeyHGTVAABYSCOWRP-UHFFFAOYSA-O
MW305.40 g/mol
LogP2.49
Rot. Bonds5

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

benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (PubChem CID 8901087) has the molecular formula C20H21N2O+ and a molecular weight of 305.40 g/mol. Its IUPAC name is benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
PubChem CID8901087
Molecular FormulaC20H21N2O+
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC Namebenzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C20H20N2O/c1-22(14-16-8-3-2-4-9-16)15-20(23)21-19-13-7-11-17-10-5-6-12-18(17)19/h2-13H,14-15H2,1H3,(H,21,23)/p+1
InChIKeyHGTVAABYSCOWRP-UHFFFAOYSA-O
XLogP2.49
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2548867
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9222015
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium
CID 3650696
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
CID 9466761
[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 2082606
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium
CID 8006194
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9261664
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The IUPAC name of benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (CID 8901087) is benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.
What is the SMILES notation for benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The canonical SMILES for benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is C[NH+](CC(=O)Nc1cccc2ccccc12)Cc1ccccc1.
What is the InChIKey of benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The InChIKey is HGTVAABYSCOWRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20N2O/c1-22(14-16-8-3-2-4-9-16)15-20(23)21-19-13-7-11-17-10-5-6-12-18(17)19/h2-13H,14-15H2,1H3,(H,21,23)/p+1.
What are the key properties of benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium has a molecular weight of 305.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8901087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).