[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium

C19H25ClN3O4+ — CID 8793994

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium (PubChem CID 8793994) has the molecular formula C19H25ClN3O4+ and a molecular weight of 394.88 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium
• PubChem CID: 8793994
• Molecular Formula: C19H25ClN3O4+
• Molecular Weight: 394.88 g/mol
• Exact Mass: 394.15
• IUPAC Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium
• SMILES: COc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)Cc1ccc(C)o1
• InChI: InChI=1S/C19H24ClN3O4/c1-13-5-7-15(27-13)10-23(3)19(25)12-22(2)11-18(24)21-16-9-14(20)6-8-17(16)26-4/h5-9H,10-12H2,1-4H3,(H,21,24)/p+1
• InChIKey: ORZMVZGMOZUDCC-UHFFFAOYSA-O
• XLogP: 1.36
• TPSA: 76.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.88
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium?

The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium (CID 8793994) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium.

What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium?

The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium is COc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)Cc1ccc(C)o1.

What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium?

The InChIKey is ORZMVZGMOZUDCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24ClN3O4/c1-13-5-7-15(27-13)10-23(3)19(25)12-22(2)11-18(24)21-16-9-14(20)6-8-17(16)26-4/h5-9H,10-12H2,1-4H3,(H,21,24)/p+1.

What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium?

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium has a molecular weight of 394.88 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8793994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).