(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

C22H29N2O2+ — CID 8805450

IUPAC(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H28N2O2/c1-16-11-12-21(26-3)18(13-16)14-24(2)15-22(25)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,11-13,20H,6,8,10,14-15H2,1-3H3,(H,23,25)/p+1/t20-/m1/s1
InChIKeyWRKAWBBURLSDQY-HXUWFJFHSA-O
MW353.49 g/mol
LogP2.21
Rot. Bonds6

About (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (PubChem CID 8805450) has the molecular formula C22H29N2O2+ and a molecular weight of 353.49 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
PubChem CID8805450
Molecular FormulaC22H29N2O2+
Molecular Weight353.49 g/mol
Exact Mass353.22
IUPAC Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H28N2O2/c1-16-11-12-21(26-3)18(13-16)14-24(2)15-22(25)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,11-13,20H,6,8,10,14-15H2,1-3H3,(H,23,25)/p+1/t20-/m1/s1
InChIKeyWRKAWBBURLSDQY-HXUWFJFHSA-O
XLogP2.21
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9058009
(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11933594
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9198773
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9049425
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895927
methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium
CID 9296476
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9295679
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8961887
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 2532930

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (CID 8805450) is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is COc1ccc(C)cc1C[NH+](C)CC(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The InChIKey is WRKAWBBURLSDQY-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H28N2O2/c1-16-11-12-21(26-3)18(13-16)14-24(2)15-22(25)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,11-13,20H,6,8,10,14-15H2,1-3H3,(H,23,25)/p+1/t20-/m1/s1.
What are the key properties of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium has a molecular weight of 353.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is sourced from PubChem (CID 8805450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).