methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

C22H25N2O+ — CID 9261608

IUPACmethyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
SMILESC[C@H](NC(=O)C[NH+](C)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H24N2O/c1-17(19-8-4-3-5-9-19)23-22(25)16-24(2)15-18-12-13-20-10-6-7-11-21(20)14-18/h3-14,17H,15-16H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1
InChIKeyPEKLXDGXGKPRLA-KRWDZBQOSA-O
MW333.46 g/mol
LogP2.73
Rot. Bonds6

About methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium (PubChem CID 9261608) has the molecular formula C22H25N2O+ and a molecular weight of 333.46 g/mol. Its IUPAC name is methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium.

Molecular Properties

Compound Namemethyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
PubChem CID9261608
Molecular FormulaC22H25N2O+
Molecular Weight333.46 g/mol
Exact Mass333.20
IUPAC Namemethyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
SMILESC[C@H](NC(=O)C[NH+](C)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H24N2O/c1-17(19-8-4-3-5-9-19)23-22(25)16-24(2)15-18-12-13-20-10-6-7-11-21(20)14-18/h3-14,17H,15-16H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1
InChIKeyPEKLXDGXGKPRLA-KRWDZBQOSA-O
XLogP2.73
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 2577327
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9261274
methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 2541465
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761145
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024529
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124767
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
CID 8805322
4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
CID 8866306
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9261664
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124780
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium
CID 9168756
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432674

Frequently Asked Questions

What is the IUPAC name of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The IUPAC name of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium (CID 9261608) is methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium.
What is the SMILES notation for methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The canonical SMILES for methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium is C[C@H](NC(=O)C[NH+](C)Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The InChIKey is PEKLXDGXGKPRLA-KRWDZBQOSA-O. The full InChI is InChI=1S/C22H24N2O/c1-17(19-8-4-3-5-9-19)23-22(25)16-24(2)15-18-12-13-20-10-6-7-11-21(20)14-18/h3-14,17H,15-16H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1.
What are the key properties of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium has a molecular weight of 333.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium is sourced from PubChem (CID 9261608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).