methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C20H25N2O+ — CID 9260580

About methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 9260580) has the molecular formula C20H25N2O+ and a molecular weight of 309.43 g/mol. Its IUPAC name is methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

• Compound Name: methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
• PubChem CID: 9260580
• Molecular Formula: C20H25N2O+
• Molecular Weight: 309.43 g/mol
• Exact Mass: 309.20
• IUPAC Name: methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
• SMILES: Cc1cccc(NC(=O)C[NH+](C)[C@@H]2CCCc3ccccc32)c1
• InChI: InChI=1S/C20H24N2O/c1-15-7-5-10-17(13-15)21-20(23)14-22(2)19-12-6-9-16-8-3-4-11-18(16)19/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,21,23)/p+1/t19-/m1/s1
• InChIKey: MVPXOJNRPFTNGS-LJQANCHMSA-O
• XLogP: 2.53
• TPSA: 33.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.43
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?

The IUPAC name of methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 9260580) is methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

What is the SMILES notation for methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?

The canonical SMILES for methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is Cc1cccc(NC(=O)C[NH+](C)[C@@H]2CCCc3ccccc32)c1.

What is the InChIKey of methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?

The InChIKey is MVPXOJNRPFTNGS-LJQANCHMSA-O. The full InChI is InChI=1S/C20H24N2O/c1-15-7-5-10-17(13-15)21-20(23)14-22(2)19-12-6-9-16-8-3-4-11-18(16)19/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,21,23)/p+1/t19-/m1/s1.

What are the key properties of methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?

methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 309.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 9260580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).