[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

C22H28N3O3+ — CID 9198773

About [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (PubChem CID 9198773) has the molecular formula C22H28N3O3+ and a molecular weight of 382.48 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.

Molecular Properties

• Compound Name: [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
• PubChem CID: 9198773
• Molecular Formula: C22H28N3O3+
• Molecular Weight: 382.48 g/mol
• Exact Mass: 382.21
• IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
• SMILES: COc1cccc(NC(=O)C[NH+](C)CC(=O)N[C@@H]2CCCc3ccccc32)c1
• InChI: InChI=1S/C22H27N3O3/c1-25(14-21(26)23-17-9-6-10-18(13-17)28-2)15-22(27)24-20-12-5-8-16-7-3-4-11-19(16)20/h3-4,6-7,9-11,13,20H,5,8,12,14-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t20-/m1/s1
• InChIKey: ZCSMQUCFAHZKPX-HXUWFJFHSA-O
• XLogP: 1.34
• TPSA: 71.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.48
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (CID 9198773) is [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.

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

The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is COc1cccc(NC(=O)C[NH+](C)CC(=O)N[C@@H]2CCCc3ccccc32)c1.

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

The InChIKey is ZCSMQUCFAHZKPX-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H27N3O3/c1-25(14-21(26)23-17-9-6-10-18(13-17)28-2)15-22(27)24-20-12-5-8-16-7-3-4-11-19(16)20/h3-4,6-7,9-11,13,20H,5,8,12,14-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t20-/m1/s1.

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

[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium has a molecular weight of 382.48 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is sourced from PubChem (CID 9198773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).